Geometry & MOs

Info

ID:	63275
PubChem CID:	26750434
Reduced:	FNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	403.118651
ΔH_f, kcal/mol:	-198.67
Dipole, Da:	6.02
IP(EA), eV:	-8.65(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations