Geometry & MOs

Info

ID:

181309

PubChem CID:

76729704

Reduced:

N5O13C28H45 (1)

Stoich.:

A5B13C28D45 (1)

Weight, g/mol:

597.249351

ΔHf, kcal/mol:

-576.93

Dipole, Da:

7.85

IP(EA), eV:

 -9.37(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[bis(formyloxymethyl)amino]ethyl-[2-[formyloxymethyl-[2-oxo-2-[2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methylamino]ethylamino]ethyl]amino]ethyl]amino]methyl formate

Drug info:

PubChemData

Smile

CC1C(C(C(OC1CNCCNC(=O)CN(CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O)CC(=O)O)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations