Geometry & MOs

Info

ID:	79381
PubChem CID:	49748370
Reduced:	N2S2O3C26H28 (1)
Stoich.:	A2B2C3D26E28 (1)
Weight, g/mol:	462.161329
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	4.6
IP(EA), eV:	-8.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CS2)C(=O)NC3=CC4=C(CCCN4S(=O)(=O)C5=CC=CC=C5)C=C3

DOS

IR

Vibrations