Geometry & MOs

Info

ID:	165882
PubChem CID:	74609012
Reduced:	N5O5C20H29 (1)
Stoich.:	A5B5C20D29 (1)
Weight, g/mol:	449.08122
ΔH_f, kcal/mol:	-196.59
Dipole, Da:	3.08
IP(EA), eV:	-9.83(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=NC=C(C=C2)C(=O)OC

DOS

IR

Vibrations