Geometry & MOs

Info

ID:	63637
PubChem CID:	26758840
Reduced:	BrNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	419.113565
ΔH_f, kcal/mol:	-162.67
Dipole, Da:	4.22
IP(EA), eV:	-8.76(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations