Geometry & MOs

Info

ID:	38907
PubChem CID:	8138143
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-66.53
Dipole, Da:	6.02
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations