Geometry & MOs

Info

ID:

169023

PubChem CID:

75055149

Reduced:

FNO11C34H46 (1)

Stoich.:

ABC11D34E46 (1)

Weight, g/mol:

771.386614

ΔHf, kcal/mol:

-539.37

Dipole, Da:

5.03

IP(EA), eV:

 -9.43(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[[10-[8,8-difluoro-4-[[2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetyl]amino]-7,7-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]-9-oxodeca-2,4-dienoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C2CC(OC(=O)C2=C(C=C1O)O)C(C)C(CC3C(C(CC(O3)C(NC(=O)C(C(CC4=CC=C(C=C4)F)OC)O)OC)O)(C)C)O

DOS

IR

Vibrations