Geometry & MOs

Info

ID:

328775

PubChem CID:

126727685

Reduced:

O2N3C23H27 (1)

Stoich.:

A2B3C23D27 (1)

Weight, g/mol:

896.23746

ΔHf, kcal/mol:

-13.25

Dipole, Da:

5.76

IP(EA), eV:

 -8.3(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-6-[4-(carbamoyloxymethyl)-2-[2-[2-[2-[(E)-[(5E,9E)-11-[iodo(methyl)amino]sulfanyl-5,9-dimethylundeca-5,9-dien-2-ylidene]amino]oxyethoxy]ethoxy]ethylcarbamoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1OCCOC)N=CN=C2CC3=CC(=CC=C3)NC(=C)C

DOS

IR

Vibrations