Geometry & MOs

Info

ID:	303614
PubChem CID:	124489962
Reduced:	Cl3O7C8H11 (1)
Stoich.:	A3B7C8D11 (1)
Weight, g/mol:	390.27701
ΔH_f, kcal/mol:	-320.67
Dipole, Da:	6.99
IP(EA), eV:	-10.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(3R,5R,9S,10S,12R,13R,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic 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(Cl)(Cl)Cl)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)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(Cl)(Cl)Cl)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):