Geometry & MOs

Info

ID:	194447
PubChem CID:	78537326
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	386.066949
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	6.5
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC=CS2

DOS

IR

Vibrations