Geometry & MOs

Info

ID:	323282
PubChem CID:	126673979
Reduced:	NSO3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	419.942901
ΔH_f, kcal/mol:	-9.56
Dipole, Da:	4.9
IP(EA), eV:	-8.42(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,4-dichloro-5-[3-(chloromethyl)-4-(difluoromethyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC=CO2)C3=CC=CC=C3

DOS

IR

Vibrations