Geometry & MOs

Info

ID:	33785
PubChem CID:	7888096
Reduced:	OS2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	52.33
Dipole, Da:	8.17
IP(EA), eV:	-8.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethoxyanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@H](C)C(=O)NC4=CC=C(C=C4)C#N

DOS

IR

Vibrations