Geometry & MOs

Info

ID:

1469

PubChem CID:

4546

Reduced:

N2O11C31H36 (1)

Stoich.:

A2B11C31D36 (1)

Weight, g/mol:

612.23191

ΔHf, kcal/mol:

-420.5

Dipole, Da:

6.91

IP(EA), eV:

 -8.8(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-hydroxy-6-[2-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O

DOS

IR

Vibrations