Geometry & MOs

Info

ID:	79239
PubChem CID:	49747609
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	512.155198
ΔH_f, kcal/mol:	-91.51
Dipole, Da:	3.78
IP(EA), eV:	-8.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NC(=O)C(=O)NCC(C3=CC=CC=C3)N(C)C

DOS

IR

Vibrations