Geometry & MOs

Info

ID:	379625
PubChem CID:	134452002
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	402.313395
ΔH_f, kcal/mol:	-129.3
Dipole, Da:	1.89
IP(EA), eV:	-9.36(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-[(3S,8R,9S,10R,13R,14S,17R)-3-ethyl-3-hydroxy-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

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

CC[C@@]1(CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)O

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

CC[C@@]1(CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):