Geometry & MOs

Info

ID:	85436
PubChem CID:	49875096
Reduced:	S2O6C13H22 (1)
Stoich.:	A2B6C13D22 (1)
Weight, g/mol:	384.994235
ΔH_f, kcal/mol:	-279.14
Dipole, Da:	3.75
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(2-chloroacetyl)amino]-4-(2-chlorobenzoyl)thiophen-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCC(C(SCC(=O)OC)SCC(=O)OC)C(=O)OC

DOS

IR

Vibrations