Geometry & MOs

Info

ID:	193300
PubChem CID:	78373903
Reduced:	O4N5C20H27 (1)
Stoich.:	A4B5C20D27 (1)
Weight, g/mol:	260.046693
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	1.53
IP(EA), eV:	-9.07(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethoxycarbonyl-2-oxo-1,5-dihydroimidazol-5-yl)methylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2C(NC3N2CCCN3C4=CC=CC(=C4)C)N(C1=O)C

DOS

IR

Vibrations