Geometry & MOs

Info

ID:

178797

PubChem CID:

76383743

Reduced:

N2O8C26H43 (2)

Stoich.:

A2B8C26D43 (2)

Weight, g/mol:

483.06814

ΔHf, kcal/mol:

-743.58

Dipole, Da:

7.45

IP(EA), eV:

 -8.44(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6-methoxy-2-oxobenzo[h]chromen-4-yl)methyl 2-amino-3-phenylpropanoate;hydrobromide

Drug info:

PubChemData

Smile

CCC1C2(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)NCCCCNC(=O)C4=CC=C(C=C4)OC)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

DOS

IR

Vibrations