Geometry & MOs

Info

ID:	122653
PubChem CID:	50816200
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-152.53
Dipole, Da:	6.4
IP(EA), eV:	-8.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidophenyl)-N-(3-methylbutyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)CN(S(=O)(=O)C2=CC=CC=C21)CC(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations