Geometry & MOs

Info

ID:	63635
PubChem CID:	26758825
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	433.05249
ΔH_f, kcal/mol:	-198.78
Dipole, Da:	6.27
IP(EA), eV:	-8.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations