Geometry & MOs

Info

ID:	63466
PubChem CID:	26758411
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	357.037955
ΔH_f, kcal/mol:	-21.16
Dipole, Da:	1.43
IP(EA), eV:	-9.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations