Geometry & MOs

Info

ID:	167966
PubChem CID:	74906918
Reduced:	ClSN3O3C24H26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	509.117605
ΔH_f, kcal/mol:	-45.71
Dipole, Da:	1.85
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)CCN(C1=NC2=C(S1)C=CC(=C2C)Cl)C(=O)C=CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations