Geometry & MOs

Info

ID:	33796
PubChem CID:	7888156
Reduced:	OS2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	32.23
Dipole, Da:	3.66
IP(EA), eV:	-8.71(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations