Geometry & MOs

Info

ID:	368125
PubChem CID:	127327644
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-158.03
Dipole, Da:	8.3
IP(EA), eV:	-9.46(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC3=C(CCNC3=O)C=C2

DOS

IR

Vibrations