Geometry & MOs

Info

ID:	24626
PubChem CID:	611474
Reduced:	ClNSO3C9H10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	247.006992
ΔH_f, kcal/mol:	-110.71
Dipole, Da:	1.42
IP(EA), eV:	-9.62(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2-chloroacetyl)amino]methyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CS1)CNC(=O)CCl

DOS

IR

Vibrations