Geometry & MOs

Info

ID:	271776
PubChem CID:	103691305
Reduced:	NCl2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	312.042477
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	4.99
IP(EA), eV:	-10.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations