Geometry & MOs

Info

ID:	243730
PubChem CID:	99234417
Reduced:	Cl2N2O2S2H14C17 (1)
Stoich.:	A2B2C2D2E14F17 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	2.07
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)C3=C(S2)C=CC(=C3)Cl)C(=O)NCCC4=CC=C(S4)Cl

DOS

IR

Vibrations