Geometry & MOs

Info

ID:	416044
PubChem CID:	135089049
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	383.097349
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	2.85
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4CN3)C5=C1C6=CC=CC=C6N5

DOS

IR

Vibrations