Geometry & MOs

Info

ID:	62380
PubChem CID:	26719654
Reduced:	FNSCl2O2H12C17 (1)
Stoich.:	ABCD2E2F12G17 (1)
Weight, g/mol:	377.008245
ΔH_f, kcal/mol:	-81.63
Dipole, Da:	6.63
IP(EA), eV:	-9.06(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations