Geometry & MOs

Info

ID:	205632
PubChem CID:	80129534
Reduced:	ClO2N4C14H21 (1)
Stoich.:	AB2C4D14E21 (1)
Weight, g/mol:	248.061949
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	2.12
IP(EA), eV:	-9.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-methylphenyl)-1H-imidazol-2-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)C(COC)N1C2=C(C(=NC=N2)OC)N=C1C(C)Cl

DOS

IR

Vibrations