Geometry & MOs

Info

ID:	140265
PubChem CID:	52671688
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	453.108245
ΔH_f, kcal/mol:	-119.75
Dipole, Da:	1.18
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[benzyl(methyl)sulfamoyl]-5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2O)O

DOS

IR

Vibrations