Geometry & MOs

Info

ID:	32395
PubChem CID:	7762656
Reduced:	ClNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	355.116821
ΔH_f, kcal/mol:	-153.29
Dipole, Da:	6.0
IP(EA), eV:	-8.81(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations