Geometry & MOs

Info

ID:	27599
PubChem CID:	822487
Reduced:	SN3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	39.23
Dipole, Da:	3.74
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,3R)-3-carboxy-2,2,3-trimethylcyclopentanecarbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N

DOS

IR

Vibrations