Geometry & MOs

Info

ID:	364185
PubChem CID:	127314483
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-80.42
Dipole, Da:	4.1
IP(EA), eV:	-8.41(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothian-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CSCCC1C(=O)N2CCC3=C(C2)C=C(C=C3)O

DOS

IR

Vibrations