Geometry & MOs

Info

ID:	43342
PubChem CID:	10321155
Reduced:	O3C29H46 (1)
Stoich.:	A3B29C46 (1)
Weight, g/mol:	442.344695
ΔH_f, kcal/mol:	-188.96
Dipole, Da:	2.02
IP(EA), eV:	-8.57(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl] acetate

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](CC/C(=C\CO)/C(C)(C)O)[C@H]1CC=C2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)O)C)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](CC/C(=C\CO)/C(C)(C)O)[C@H]1CC=C2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)O)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):