Geometry & MOs

Info

ID:	159571
PubChem CID:	57288471
Reduced:	ClNSO5C12H16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	440.29266
ΔH_f, kcal/mol:	-226.12
Dipole, Da:	6.25
IP(EA), eV:	-9.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclooctyl-2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(OC(=O)[C@H]1[C@](S[C@H]2N1C(=O)C2)(C)COC(=O)C)Cl

DOS

IR

Vibrations