Geometry & MOs

Info

ID:	69261
PubChem CID:	46530541
Reduced:	FOSN5H22C27 (1)
Stoich.:	ABCD5E22F27 (1)
Weight, g/mol:	405.088475
ΔH_f, kcal/mol:	80.09
Dipole, Da:	4.45
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

DOS

IR

Vibrations