Geometry & MOs

Info

ID:	193160
PubChem CID:	78351419
Reduced:	ClSN3O4C21H30 (1)
Stoich.:	ABC3D4E21F30 (1)
Weight, g/mol:	515.164555
ΔH_f, kcal/mol:	-162.36
Dipole, Da:	4.36
IP(EA), eV:	-9.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methyl-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CNC2CCC(CC2C1=O)S(=O)(=O)N(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations