Geometry & MOs

Info

ID:	63632
PubChem CID:	26758818
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	377.107479
ΔH_f, kcal/mol:	-164.3
Dipole, Da:	3.92
IP(EA), eV:	-8.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations