Geometry & MOs

Info

ID:	217772
PubChem CID:	85088361
Reduced:	FN3O3C21H38 (1)
Stoich.:	AB3C3D21E38 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-253.84
Dipole, Da:	3.12
IP(EA), eV:	-10.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCNC(=O)N1CC(C(=O)NC1=O)F

DOS

IR

Vibrations