Geometry & MOs

Info

ID:	62515
PubChem CID:	26719824
Reduced:	NSO2F4H11C17 (1)
Stoich.:	ABC2D4E11F17 (1)
Weight, g/mol:	355.07391
ΔH_f, kcal/mol:	-193.51
Dipole, Da:	3.64
IP(EA), eV:	-8.41(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C(=C(C(=C2F)F)F)F)C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations