Geometry & MOs

Info

ID:

215689

PubChem CID:

85085088

Reduced:

O12N23C49H83 (1)

Stoich.:

A12B23C49D83 (1)

Weight, g/mol:

1184.293805

ΔHf, kcal/mol:

-485.34

Dipole, Da:

13.32

IP(EA), eV:

 -8.99(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-acetamido-4-acetyloxy-2-[5-hydroxy-2-[3-oxo-3-phenylmethoxy-2-(2,2,2-trichloroethoxycarbonylamino)propoxy]-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CN=CN2)C(=O)NC(CO)C(=O)NC(CC3=CN=CN3)C(=O)O)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations