Geometry & MOs

Info

ID:	155679
PubChem CID:	56366871
Reduced:	ClSN2O4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	489.208613
ΔH_f, kcal/mol:	-134.83
Dipole, Da:	5.91
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C)C3=CC=C(C=C3)C)Cl

DOS

IR

Vibrations