Geometry & MOs

Info

ID:	343734
PubChem CID:	127266910
Reduced:	N2S2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	343.075053
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	5.65
IP(EA), eV:	-9.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoro-4-methyl-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC=CC=C2)S(=O)(=O)NC[C@@H](C)O

DOS

IR

Vibrations