Geometry & MOs

Info

ID:	63276
PubChem CID:	26750443
Reduced:	ClNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	421.133694
ΔH_f, kcal/mol:	-167.39
Dipole, Da:	8.04
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations