Geometry & MOs

Info

ID:	307023
PubChem CID:	125264679
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	304.203845
ΔH_f, kcal/mol:	-57.47
Dipole, Da:	3.01
IP(EA), eV:	-8.41(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,8S,9R,10R,13R,14R,17S)-7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H]2CN([C@H]3[C@H]2OCCC3)C(=O)CC4=CSC=C4

DOS

IR

Vibrations