Geometry & MOs

Info

ID:	238979
PubChem CID:	93165808
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	4.05
IP(EA), eV:	-8.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NCCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations