Geometry & MOs

Info

ID:	64781
PubChem CID:	29203991
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-80.93
Dipole, Da:	5.63
IP(EA), eV:	-9.62(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CN(C)C1=NS(=O)(=O)C2=CC=CC=C21

DOS

IR

Vibrations