Geometry & MOs

Info

ID:	403062
PubChem CID:	135058567
Reduced:	NSO2C22H23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	355.193614
ΔH_f, kcal/mol:	-20.08
Dipole, Da:	4.54
IP(EA), eV:	-8.56(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(Z)-1-(2,4-dimethylphenyl)-2-phenylethenyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC(=O)/C=C/C1=C(C=C(C=C1)C#N)CSC2=CC=C(C=C2)C

DOS

IR

Vibrations