Geometry & MOs

Info

ID:	60860
PubChem CID:	26702710
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	6.54
IP(EA), eV:	-8.0(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzylpyrazol-4-yl)-N-[3-(butylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3)OCC)N4CCOCC4

DOS

IR

Vibrations