Geometry & MOs

Info

ID:	148725
PubChem CID:	53788394
Reduced:	ClNH4C5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	360.266445
ΔH_f, kcal/mol:	55.29
Dipole, Da:	5.69
IP(EA), eV:	-9.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl 2-hydroxyacetate

Drug info:

PubChemData

Smile

C1CN=NC(=C1)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations