Geometry & MOs

Info

ID:	302686
PubChem CID:	124391988
Reduced:	BrN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	458.08412
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	8.33
IP(EA), eV:	-8.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[3-bromo-4-[(2R)-butan-2-yl]oxy-5-ethoxyphenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC[C@H](C)OC1=C(C=C(C=C1Br)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)O)OCC

DOS

IR

Vibrations