Geometry & MOs

Info

ID:	30630
PubChem CID:	841592
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	336.039105
ΔH_f, kcal/mol:	-82.74
Dipole, Da:	3.7
IP(EA), eV:	-8.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C2=CC(=CC(=C2)OC)OC)C

DOS

IR

Vibrations