Geometry & MOs

Info

ID:	133135
PubChem CID:	51482277
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	380.057527
ΔH_f, kcal/mol:	39.67
Dipole, Da:	7.16
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)SC2=NN3C(=CC(=NC3=N2)C)C

DOS

IR

Vibrations