Geometry & MOs

Info

ID:	62113
PubChem CID:	26717612
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	363.042899
ΔH_f, kcal/mol:	-33.96
Dipole, Da:	16.68
IP(EA), eV:	-8.69(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations