Geometry & MOs

Info

ID:	63626
PubChem CID:	26758804
Reduced:	ClFNO5H17C19 (1)
Stoich.:	ABCD5E17F19 (1)
Weight, g/mol:	377.107479
ΔH_f, kcal/mol:	-205.77
Dipole, Da:	5.96
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations