Geometry & MOs

Info

ID:	176009
PubChem CID:	75981441
Reduced:	NSO2H17C20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	416.119464
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	3.21
IP(EA), eV:	-8.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzothiazol-2-yl)phenyl] 3-acetamido-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations