Geometry & MOs

Info

ID:	79380
PubChem CID:	49748367
Reduced:	S2N3O5C27H29 (1)
Stoich.:	A2B3C5D27E29 (1)
Weight, g/mol:	480.154135
ΔH_f, kcal/mol:	-136.31
Dipole, Da:	2.32
IP(EA), eV:	-8.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CCCN4S(=O)(=O)C5=CC=CC=C5)C=C3

DOS

IR

Vibrations