Geometry & MOs

Info

ID:	78897
PubChem CID:	49742664
Reduced:	SN2O3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-61.28
Dipole, Da:	6.22
IP(EA), eV:	-8.86(-1.1)
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-ylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

COCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=CSC=C3

DOS

IR

Vibrations