Geometry & MOs

Info

ID:	344313
PubChem CID:	127267489
Reduced:	SN4O4C14H18 (1)
Stoich.:	AB4C4D14E18 (1)
Weight, g/mol:	346.054732
ΔH_f, kcal/mol:	-107.34
Dipole, Da:	10.07
IP(EA), eV:	-9.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]sulfamoylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)N1C=C(N=C1)S(=O)(=O)NC(C2=CN=CC=C2)C(=O)OC

DOS

IR

Vibrations