Geometry & MOs

Info

ID:	62666
PubChem CID:	26732636
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	414.080491
ΔH_f, kcal/mol:	-125.98
Dipole, Da:	4.99
IP(EA), eV:	-8.65(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[3-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC=CO2

DOS

IR

Vibrations