Geometry & MOs

Info

ID:	368127
PubChem CID:	127327646
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-158.45
Dipole, Da:	6.96
IP(EA), eV:	-9.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCNC4=O)C=C3

DOS

IR

Vibrations