Geometry & MOs

Info

ID:

185188

PubChem CID:

77267569

Reduced:

O3C43H62 (1)

Stoich.:

A3B43C62 (1)

Weight, g/mol:

890.482145

ΔHf, kcal/mol:

-124.88

Dipole, Da:

2.45

IP(EA), eV:

 -8.81(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(4-methyl-6-oxo-1,3-diazinan-2-yl)carbamoylamino]hexyl-[2-[[2,3,4,5-tetrahydroxy-6-[2-[6-[(4-methyl-6-oxo-1,3-diazinan-2-yl)carbamoylamino]hexylcarbamoyloxy]ethylamino]-6-oxohexanoyl]amino]ethyl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC=CCCC

DOS

IR

Vibrations