Geometry & MOs

Info

ID:	195178
PubChem CID:	78651102
Reduced:	N2S2O5C17H18 (1)
Stoich.:	A2B2C5D17E18 (1)
Weight, g/mol:	330.032668
ΔH_f, kcal/mol:	-157.02
Dipole, Da:	10.6
IP(EA), eV:	-10.08(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,4-dichlorophenyl)-3-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations