Geometry & MOs

Info

ID:	216883
PubChem CID:	85086924
Reduced:	O5H16C18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	312.056863
ΔH_f, kcal/mol:	-128.29
Dipole, Da:	4.31
IP(EA), eV:	-9.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(naphthalen-2-ylmethylidene)-4-oxo-1H-imidazol-2-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2C(O2)COC(=O)C3=CC=CC=C3

DOS

IR

Vibrations