Geometry & MOs

Info

ID:

164127

PubChem CID:

74382050

Reduced:

SN4O6C27H38 (1)

Stoich.:

AB4C6D27E38 (1)

Weight, g/mol:

773.238473

ΔHf, kcal/mol:

-230.77

Dipole, Da:

6.53

IP(EA), eV:

 -9.23(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)N)S(=O)(=O)C4=CC=C(C=C4)N

DOS

IR

Vibrations