Geometry & MOs

Info

ID:

219325

PubChem CID:

85098761

Reduced:

N7O12C38H49 (1)

Stoich.:

A7B12C38D49 (1)

Weight, g/mol:

795.192037

ΔHf, kcal/mol:

-501.67

Dipole, Da:

9.08

IP(EA), eV:

 -8.54(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(7-azido-6-benzoyloxy-1,4-dithiaspiro[4.5]decan-9-yl)oxy]-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)N

DOS

IR

Vibrations