Geometry & MOs

Info

ID:	420387
PubChem CID:	135112887
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	369.081698
ΔH_f, kcal/mol:	0.6
Dipole, Da:	3.53
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)NCC3=CC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations