Geometry & MOs

Info

ID:	56637
PubChem CID:	17487280
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	4.71
IP(EA), eV:	-8.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[[2-[2-(2-oxopyrrolidin-1-yl)anilino]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)CCC3=O

DOS

IR

Vibrations