Geometry & MOs

Info

ID:	148776
PubChem CID:	53788445
Reduced:	ClFON3H13C18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	314.260966
ΔH_f, kcal/mol:	29.34
Dipole, Da:	6.4
IP(EA), eV:	-9.94(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C(CN2C=NC=N2)C(=O)C3=CC=C(C=C3)Cl)F

DOS

IR

Vibrations