Geometry & MOs

Info

ID:

214805

PubChem CID:

85083672

Reduced:

O7N8C29H40 (1)

Stoich.:

A7B8C29D40 (1)

Weight, g/mol:

612.350962

ΔHf, kcal/mol:

-299.85

Dipole, Da:

1.86

IP(EA), eV:

 -8.93(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5',7,9,13-tetramethyl-17-(3,4,5-trihydroxyoxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,18-tetrol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)CNC(=O)C(CCCNC(=O)C(CC(=O)N)N)NC(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations