Geometry & MOs

Info

ID:	303638
PubChem CID:	124489987
Reduced:	O3Cl6H8C12 (1)
Stoich.:	A3B6C8D12 (1)
Weight, g/mol:	360.185608
ΔH_f, kcal/mol:	-110.13
Dipole, Da:	4.57
IP(EA), eV:	-10.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8S,9S,13R,14R,17R)-1-chloro-4,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)O[C@H]([C@H]2[C@@H](O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

DOS

IR

Vibrations