Geometry & MOs

Info

ID:

169160

PubChem CID:

75068667

Reduced:

NO3H13C15 (1)

Stoich.:

AB3C13D15 (1)

Weight, g/mol:

1220.469418

ΔHf, kcal/mol:

-65.71

Dipole, Da:

14.03

IP(EA), eV:

-9.12(-1.44)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-N-[[4-[[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-propoxyoxane-2-carbonyl]amino]methyl]phenyl]methyl]-3,5-dihydroxy-6-propoxyoxane-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC=C2C=CC=C(C2=O)C(=O)O

DOS

IR

Vibrations