Geometry & MOs

Info

ID:	292300
PubChem CID:	114916201
Reduced:	ClNSO3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	325.055484
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	6.4
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[(4-propylthiadiazole-5-carbonyl)amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(=O)NC2=C(SC=C2C)C(=O)OC

DOS

IR

Vibrations