Geometry & MOs

Info

ID:

84838

PubChem CID:

49870265

Reduced:

ON3C11H21 (3)

Stoich.:

AB3C11D21 (3)

Weight, g/mol:

874.515068

ΔHf, kcal/mol:

-161.38

Dipole, Da:

1.06

IP(EA), eV:

-8.89(-0.92)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,5R,6S,7S,8R,9R,11R,14R,15S)-2-ethyl-6-[(2R,4R,5S,6S)-5-(hydrazinecarbonyloxy)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-hydroxy-1,5,7,9,11,13,14-heptamethyl-4,17-dioxo-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(=O)NCCCCNCCCCN)C(=O)NCCCCNCCCCN)C(=O)NCCCCNCCCCN

DOS

IR

Vibrations