Geometry & MOs

Info

ID:	142784
PubChem CID:	53091354
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	460.182064
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	7.12
IP(EA), eV:	-9.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations