Geometry & MOs

Info

ID:	352414
PubChem CID:	127283502
Reduced:	SN3O4C12H21 (1)
Stoich.:	AB3C4D12E21 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-177.6
Dipole, Da:	4.77
IP(EA), eV:	-9.84(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C(=O)CN2CCS(=O)(=O)CC2)C

DOS

IR

Vibrations