Geometry & MOs

Info

ID:	284733
PubChem CID:	104065758
Reduced:	ClSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	299.038292
ΔH_f, kcal/mol:	-4.78
Dipole, Da:	2.0
IP(EA), eV:	-9.62(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(2-oxoazepan-4-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

CCCCN1C(=NN=N1)CSC2=CC(=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations