Geometry & MOs

Info

ID:	26908
PubChem CID:	804142
Reduced:	SN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	94.34
Dipole, Da:	5.05
IP(EA), eV:	-8.48(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-(3-methylbutanoylamino)benzoic acid

Drug info:

PubChemData

Smile

C1CN(N=C1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3

DOS

IR

Vibrations