Geometry & MOs

Info

ID:	39594
PubChem CID:	8141508
Reduced:	N3O5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-102.19
Dipole, Da:	9.89
IP(EA), eV:	-9.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(benzylamino)-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

DOS

IR

Vibrations