Geometry & MOs

Info

ID:	43765
PubChem CID:	10321757
Reduced:	O3C30H46 (1)
Stoich.:	A3B30C46 (1)
Weight, g/mol:	454.344695
ΔH_f, kcal/mol:	-173.39
Dipole, Da:	6.26
IP(EA), eV:	-9.64(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,10S,13R,14S,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-14-carboxylic 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

CC(=C)[C@@H]1CC[C@]2([C@H]1CC[C@@]3(C2CC[C@H]4[C@]3(CC=C5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)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

CC(=C)[C@@H]1CC[C@]2([C@H]1CC[C@@]3(C2CC[C@H]4[C@]3(CC=C5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):