Geometry & MOs

Info

ID:	140798
PubChem CID:	52762187
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	391.210721
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	3.77
IP(EA), eV:	-8.55(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-(4-methyl-3-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)C(=O)CS[C@@H]2CCCC3=CC=CC=C23

DOS

IR

Vibrations