Geometry & MOs

Info

ID:	62579
PubChem CID:	26719892
Reduced:	SN3O5H19C23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-118.02
Dipole, Da:	6.24
IP(EA), eV:	-9.18(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-sulfamoylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N

DOS

IR

Vibrations