Geometry & MOs

Info

ID:	183413
PubChem CID:	77021269
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	86.19
Dipole, Da:	4.59
IP(EA), eV:	-8.78(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1H-imidazol-5-ylsulfonylamino)-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCC1=NC=CN1CC2C=CC=NC2=C(N)N=O

DOS

IR

Vibrations