Geometry & MOs

Info

ID:	235853
PubChem CID:	92710876
Reduced:	ClSN3O4C24H32 (1)
Stoich.:	ABC3D4E24F32 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-170.77
Dipole, Da:	10.77
IP(EA), eV:	-8.23(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC[C@@H]1CN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)C3=C(N(C(=C3C(=O)N4CCC(CC4)C)C)C)C

DOS

IR

Vibrations