Geometry & MOs

Info

ID:

220208

PubChem CID:

85165365

Reduced:

Br2N5O5H27C28 (1)

Stoich.:

A2B5C5D27E28 (1)

Weight, g/mol:

673.263544

ΔHf, kcal/mol:

-120.45

Dipole, Da:

7.68

IP(EA), eV:

 -8.44(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-azido-2-phenyl-6-[(2-phenyl-7-phenylmethoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCNC(=O)C(=CNC2=C(C=C(C=N2)Br)Br)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations