Geometry & MOs

Info

ID:

221535

PubChem CID:

85279100

Reduced:

PN7O7C47H52 (1)

Stoich.:

AB7C7D47E52 (1)

Weight, g/mol:

857.160173

ΔHf, kcal/mol:

-143.28

Dipole, Da:

5.2

IP(EA), eV:

 -8.24(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-azido-3-(2-chloroacetyl)oxy-6-[[9-(3,5-dimethoxy-4-phenylmethoxycarbonyloxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]oxy]oxan-2-yl]methyl 2-chloroacetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6C5=NC(=NC6=O)NC(=O)CC7=CC=CC=C7)OP(N8CCCC8)N9CCCC9

DOS

IR

Vibrations