Geometry & MOs

Info

ID:	131966
PubChem CID:	51284526
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	4.47
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCN3C4=CC=CC=C4C(=O)NC3=O)C

DOS

IR

Vibrations