Geometry & MOs

Info

ID:	363496
PubChem CID:	127311554
Reduced:	N2S2O3C11H22 (1)
Stoich.:	A2B2C3D11E22 (1)
Weight, g/mol:	341.123169
ΔH_f, kcal/mol:	-135.29
Dipole, Da:	6.38
IP(EA), eV:	-8.57(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)NCCN2CCSCC2

DOS

IR

Vibrations