Geometry & MOs

Info

ID:

215561

PubChem CID:

85084909

Reduced:

N4O12C59H76 (1)

Stoich.:

A4B12C59D76 (1)

Weight, g/mol:

1034.514518

ΔHf, kcal/mol:

-423.19

Dipole, Da:

3.35

IP(EA), eV:

 -7.41(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,5-dimethoxy-4-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-4-[3,5-dimethoxy-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3-methoxy-6-methyl-5-(3,4,5-trimethoxyoxan-2-yl)oxyoxane

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=NC(=C4C=CC=C5C4=NC(=C(C6=C(C(=C(N6)C=C1N2)CC)CC)C7=CC=C(C=C7)OCCOC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)O)C5(CC)CC)C(=C3CC)CC)CC

DOS

IR

Vibrations