Geometry & MOs

Info

ID:	36402
PubChem CID:	8005740
Reduced:	OSN2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	399.071134
ΔH_f, kcal/mol:	64.48
Dipole, Da:	10.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.024109
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)NC(=S)C(=C2C3=CC=C(C=C3)[O-])C#N

DOS

IR

Vibrations