Geometry & MOs

Info

ID:	133139
PubChem CID:	51483719
Reduced:	ClNO6H18C21 (1)
Stoich.:	ABC6D18E21 (1)
Weight, g/mol:	350.071428
ΔH_f, kcal/mol:	-182.4
Dipole, Da:	5.35
IP(EA), eV:	-8.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] 2,6-difluorobenzoate

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)O[C@H](C)C(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations