Geometry & MOs

Info

ID:	38541
PubChem CID:	8137023
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	390.106316
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	2.86
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations