Geometry & MOs

Info

ID:	131961
PubChem CID:	51284521
Reduced:	S2N3O3H15C18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-54.03
Dipole, Da:	4.21
IP(EA), eV:	-8.46(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

DOS

IR

Vibrations