Geometry & MOs

Info

ID:	440164
PubChem CID:	135230073
Reduced:	O7C16H26 (1)
Stoich.:	A7B16C26 (1)
Weight, g/mol:	870.155317
ΔH_f, kcal/mol:	-284.4
Dipole, Da:	4.01
IP(EA), eV:	-9.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[[4-carboxy-3-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]ethyldisulfanyl]ethylcarbamoyl]-2-(3,6-dihydroxy-3H-xanthen-9-yl)benzoic acid

Drug info:

PubChemData

Smile

CC(C)(CCOC(C)(C)C(=O)OC=C)OCCOC(=O)OC=C

DOS

IR

Vibrations