Geometry & MOs

Info

ID:	63265
PubChem CID:	26750411
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	453.172228
ΔH_f, kcal/mol:	-193.86
Dipole, Da:	7.74
IP(EA), eV:	-8.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations