Geometry & MOs

Info

ID:	359425
PubChem CID:	127298562
Reduced:	SN4O4C16H28 (1)
Stoich.:	AB4C4D16E28 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-121.13
Dipole, Da:	8.01
IP(EA), eV:	-8.87(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylcarbamoyl)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CC2=NOC(=N2)C3CCOCC3)S(=O)(=O)C

DOS

IR

Vibrations