Geometry & MOs

Info

ID:	307038
PubChem CID:	125264727
Reduced:	SO4N6C16H20 (1)
Stoich.:	AB4C6D16E20 (1)
Weight, g/mol:	240.066555
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	5.77
IP(EA), eV:	-8.99(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-cyclopropyl-N-[2-oxo-2-(3H-pyrrol-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)[C@H]3C=CC=NC3=O

DOS

IR

Vibrations