Geometry & MOs

Info

ID:	416691
PubChem CID:	135090120
Reduced:	ClON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	383.097349
ΔH_f, kcal/mol:	91.41
Dipole, Da:	4.13
IP(EA), eV:	-8.46(-0.75)
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-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)Cl)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations