Geometry & MOs

Info

ID:

379242

PubChem CID:

134356894

Reduced:

O3N6C20H26 (1)

Stoich.:

A3B6C20D26 (1)

Weight, g/mol:

839.394431

ΔHf, kcal/mol:

-52.84

Dipole, Da:

2.68

IP(EA), eV:

 -9.03(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-diamino-N-[N'-[4-[4-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]propylamino]ethyl]naphthalen-1-yl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)CNCC4=CC=CC=C4

DOS

IR

Vibrations