Geometry & MOs

Info

ID:	268443
PubChem CID:	103599390
Reduced:	IN3O4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-103.5
Dipole, Da:	4.9
IP(EA), eV:	-8.66(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)CNC(=O)C=CC2=CC=C(O2)I

DOS

IR

Vibrations