Geometry & MOs

Info

ID:	29107
PubChem CID:	831660
Reduced:	NSO5C11H13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	283.051444
ΔH_f, kcal/mol:	-216.74
Dipole, Da:	1.48
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)NC(=O)CCC(=O)O)C(=O)OC

DOS

IR

Vibrations