Geometry & MOs

Info

ID:	300549
PubChem CID:	121360501
Reduced:	NO5C31H53 (1)
Stoich.:	AB5C31D53 (1)
Weight, g/mol:	580.352891
ΔH_f, kcal/mol:	-250.36
Dipole, Da:	7.24
IP(EA), eV:	-9.53(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropyl]-hydroxyphosphoryl]oxyacetic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC4C5([C@@]3(CC[C@@H](C5)OCCN(CC(=O)O)O)C)O4)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC4C5([C@@]3(CC[C@@H](C5)OCCN(CC(=O)O)O)C)O4)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):