Geometry & MOs

Info

ID:	178606
PubChem CID:	76355652
Reduced:	N4O5C26H34 (1)
Stoich.:	A4B5C26D34 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-176.46
Dipole, Da:	3.48
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethoxyphenyl)-N-[4-(prop-2-enylsulfamoylmethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2C(C(=O)NC(=O)N2CCOC)NCC3=CC=CC=C3

DOS

IR

Vibrations