Geometry & MOs

Info

ID:	26451
PubChem CID:	648719
Reduced:	SN4O5C15H16 (1)
Stoich.:	AB4C5D15E16 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-155.67
Dipole, Da:	6.84
IP(EA), eV:	-8.77(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-pyrrol-1-ylbenzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations