Geometry & MOs

Info

ID:	58000
PubChem CID:	24398190
Reduced:	ON2S2Cl3H7C11 (1)
Stoich.:	AB2C2D3E7F11 (1)
Weight, g/mol:	451.024968
ΔH_f, kcal/mol:	25.78
Dipole, Da:	1.49
IP(EA), eV:	-9.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C1C(C1(Cl)Cl)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl

DOS

IR

Vibrations