Geometry & MOs

Info

ID:

310324

PubChem CID:

126578793

Reduced:

N2O3C14H20 (1)

Stoich.:

A2B3C14D20 (1)

Weight, g/mol:

1183.647538

ΔHf, kcal/mol:

-113.22

Dipole, Da:

4.16

IP(EA), eV:

-8.96(0.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3R,4S,6R)-5-acetamido-6-[2-[[7-[2-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyethylamino]-4-[3-[2-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyethylamino]-3-oxopropyl]-7-oxo-4-(3-oxobutanoylamino)heptanoyl]amino]ethoxy]-3,4-dimethyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CNCCCNC(=O)CCO

DOS

IR

Vibrations