Geometry & MOs

Info

ID:	243728
PubChem CID:	99234411
Reduced:	ClSN2O3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-90.28
Dipole, Da:	1.68
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methylpropylsulfonyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNC(=O)[C@@]23CCC(=O)N2C4=C(S3)C=CC(=C4)Cl

DOS

IR

Vibrations