Geometry & MOs

Info

ID:	49567
PubChem CID:	11533276
Reduced:	F3N3O6H20C23 (1)
Stoich.:	A3B3C6D20E23 (1)
Weight, g/mol:	491.138101
ΔH_f, kcal/mol:	-258.75
Dipole, Da:	11.25
IP(EA), eV:	-9.95(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[[(1S,2S)-2-[(2-acetyl-3-oxobutylidene)amino]-1,2-diphenylethyl]iminomethyl]pentane-2,4-dione;cobalt(2+)

Drug info:

PubChemData

Smile

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC3CCCC4=C3C=C(C=C4)[N+](=O)[O-])(C(F)(F)F)O

DOS

IR

Vibrations