Geometry & MOs

Info

ID:

222143

PubChem CID:

85294681

Reduced:

N2O27C36H52 (1)

Stoich.:

A2B27C36D52 (1)

Weight, g/mol:

965.358233

ΔHf, kcal/mol:

-1221.07

Dipole, Da:

13.77

IP(EA), eV:

 -10.2(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[7-acetamido-8-[(7-acetamido-8-acetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1O)COC(=O)C)OC(=O)C)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C)O)O

DOS

IR

Vibrations