Geometry & MOs

Info

ID:	194549
PubChem CID:	78553817
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	397.119523
ΔH_f, kcal/mol:	-141.85
Dipole, Da:	8.04
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 1-O-ethyl but-2-enedioate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC(=O)OC(C)C(=O)NC2=C(C=CC=C2C(C)C)C

DOS

IR

Vibrations