Geometry & MOs

Info

ID:	38738
PubChem CID:	8137848
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-109.76
Dipole, Da:	2.07
IP(EA), eV:	-8.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)NCCCCCC1=NC(=NO1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations