Geometry & MOs

Info

ID:	417451
PubChem CID:	135094590
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	383.097349
ΔH_f, kcal/mol:	-117.12
Dipole, Da:	4.17
IP(EA), eV:	-9.15(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1,3-benzothiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@](C[C@@H]1N2CCO)(CC3=CSC=N3)C(=O)NC4CCC(CC4)O

DOS

IR

Vibrations