Geometry & MOs

Info

ID:	123573
PubChem CID:	50854579
Reduced:	ClSN2O2H19C20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-42.71
Dipole, Da:	7.98
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-cyclopentylpyrrol-3-yl)methylideneamino]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=C2)/C=C/3\C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations