Geometry & MOs

Info

ID:	238980
PubChem CID:	93165809
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-79.35
Dipole, Da:	4.81
IP(EA), eV:	-9.25(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C2=CC=CC=C2CCN1S(=O)(=O)C

DOS

IR

Vibrations