Geometry & MOs

Info

ID:	79261
PubChem CID:	49747716
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	526.170848
ΔH_f, kcal/mol:	-101.58
Dipole, Da:	2.61
IP(EA), eV:	-8.46(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C(=O)NC2=CC3=C(CCCN3C(=O)C(C)C)C=C2)N(C)C

DOS

IR

Vibrations