Geometry & MOs

Info

ID:

308760

PubChem CID:

126522456

Reduced:

N2H4C5 (5)

Stoich.:

A2B4C5 (5)

Weight, g/mol:

1495.444942

ΔHf, kcal/mol:

259.68

Dipole, Da:

8.4

IP(EA), eV:

 -8.72(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-1-[6-[2-[[3-[2-azido-2-[2-[2-[3-[1-[4-(azidomethoxy)-5-[(phosphanylidyne-lambda5-phosphanylidene)phosphanyloxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylamino]-2-oxoethoxy]ethoxy]ethoxy]benzoyl]amino]ethylamino]-6-oxohexyl]-3,3-dimethyl-2-[(E)-3-[3-methyl-1-phenyl-3-(5-sulfopentyl)-2H-indol-2-yl]prop-2-enylidene]indole-5-sulfonic acid

Drug info:

PubChemData

Smile

C1C(CN1C2=NC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC=CC=N7)/NN4)N

DOS

IR

Vibrations