Geometry & MOs

Info

ID:	133563
PubChem CID:	51552352
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	489.181232
ΔH_f, kcal/mol:	-4.37
Dipole, Da:	2.51
IP(EA), eV:	-8.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-[4-(dimethylamino)phenyl]-3-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N/N=C(\C)/C=C/C1=CC=CC=C1)NC2=CC=CC=C2OC

DOS

IR

Vibrations