Geometry & MOs

Info

ID:	369174
PubChem CID:	127331476
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-139.55
Dipole, Da:	3.27
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CCN2C(=O)CSC3=CC=CC=C32

DOS

IR

Vibrations