Geometry & MOs

Info

ID:	141062
PubChem CID:	52811861
Reduced:	FSO3N4H18C19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	402.11619
ΔH_f, kcal/mol:	-70.35
Dipole, Da:	3.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.122194
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-(methanesulfonamido)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=NC2=C(N=CN2C)C3=CC=C(C=C3)F)[O-])NS(=O)(=O)C

DOS

IR

Vibrations