Geometry & MOs

Info

ID:	60627
PubChem CID:	26697306
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	310.113984
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	4.33
IP(EA), eV:	-8.56(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C[C@@H](C2=CC=C(C=C2)Cl)NC(=O)N

DOS

IR

Vibrations