Geometry & MOs

Info

ID:	24588
PubChem CID:	611238
Reduced:	NSO7C15H19 (1)
Stoich.:	ABC7D15E19 (1)
Weight, g/mol:	357.088223
ΔH_f, kcal/mol:	-308.03
Dipole, Da:	3.79
IP(EA), eV:	-9.39(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCC(=O)O

DOS

IR

Vibrations