Geometry & MOs

Info

ID:

214939

PubChem CID:

85083890

Reduced:

O5N10C31H54 (1)

Stoich.:

A5B10C31D54 (1)

Weight, g/mol:

646.263411

ΔHf, kcal/mol:

-245.61

Dipole, Da:

6.98

IP(EA), eV:

 -9.32(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5,13-dihydroxy-2,6-dimethyl-13-[(4-methylphenyl)sulfonyloxymethyl]-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CC=C(C=C1)CN)NC(=O)C(C)N

DOS

IR

Vibrations