Geometry & MOs

Info

ID:

164161

PubChem CID:

74382120

Reduced:

FN3O5C25H30 (1)

Stoich.:

AB3C5D25E30 (1)

Weight, g/mol:

971.290153

ΔHf, kcal/mol:

-176.93

Dipole, Da:

7.45

IP(EA), eV:

 -8.63(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[[4-hydroxy-3-[2-(3-methoxyphenyl)ethyl-(2-oxochromene-3-carbonyl)amino]-1,2,3,4,4a,9b-hexahydrodibenzofuran-1-carbonyl]amino]ethoxycarbonylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Drug info:

PubChemData

Smile

CCNC(=O)OCCNC(=O)C1CC(C(C2C1C3=CC=CC=C3O2)O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations