Geometry & MOs

Info

ID:	78898
PubChem CID:	49742668
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	5.09
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methoxymethyl)-2-oxo-1H-quinolin-7-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C(=CC(=O)N3)COC

DOS

IR

Vibrations