Geometry & MOs

Info

ID:	448516
PubChem CID:	135291469
Reduced:	SO7C21H24 (1)
Stoich.:	AB7C21D24 (1)
Weight, g/mol:	374.143764
ΔH_f, kcal/mol:	-269.09
Dipole, Da:	6.26
IP(EA), eV:	-8.93(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-(4-azido-6-carboxyhexanoyl)peroxy-7-oxoheptanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCCC1=C2C(=CC=C1)C3OC(O2)C4=CC=CC(=C4O3)CCCO

DOS

IR

Vibrations