Geometry & MOs

Info

ID:	21821
PubChem CID:	591698
Reduced:	OSN2H18C22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	358.113984
ΔH_f, kcal/mol:	54.47
Dipole, Da:	4.35
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

DOS

IR

Vibrations