Geometry & MOs

Info

ID:	63640
PubChem CID:	26758853
Reduced:	NO6C21H21 (1)
Stoich.:	AB6C21D21 (1)
Weight, g/mol:	400.082599
ΔH_f, kcal/mol:	-197.89
Dipole, Da:	3.7
IP(EA), eV:	-8.79(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations