Geometry & MOs

Info

ID:	58018
PubChem CID:	24398247
Reduced:	ClN2S2O3H15C18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	477.004233
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	5.38
IP(EA), eV:	-8.94(-1.18)
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-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations