Geometry & MOs

Info

ID:	15521
PubChem CID:	443245
Reduced:	OC29H48 (1)
Stoich.:	AB29C48 (1)
Weight, g/mol:	412.370516
ΔH_f, kcal/mol:	-112.75
Dipole, Da:	2.32
IP(EA), eV:	-9.01(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S,10S,13R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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]1[C@H](CC[C@]2(C1CC=C3C2CC[C@]4(C3CCC4[C@H](C)CCC(=C)C(C)C)C)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

C[C@@H]1[C@H](CC[C@]2(C1CC=C3C2CC[C@]4(C3CCC4[C@H](C)CCC(=C)C(C)C)C)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):