Geometry & MOs

Info

ID:	164053
PubChem CID:	74381681
Reduced:	SN3O7C27H37 (1)
Stoich.:	AB3C7D27E37 (1)
Weight, g/mol:	374.058883
ΔH_f, kcal/mol:	-261.99
Dipole, Da:	5.0
IP(EA), eV:	-9.45(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3,4-dichlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)N)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations