Geometry & MOs

Info

ID:	234473
PubChem CID:	92298506
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	384.032456
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	5.46
IP(EA), eV:	-8.71(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN(C[C@H]2CCCO2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations