Geometry & MOs

Info

ID:	146627
PubChem CID:	53719735
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	224.017701
ΔH_f, kcal/mol:	-89.72
Dipole, Da:	2.54
IP(EA), eV:	-8.44(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(sulfanyl)heptanedioic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CC23CCCN2CC=C3

DOS

IR

Vibrations