Geometry & MOs

Info

ID:

188599

PubChem CID:

77740042

Reduced:

FSN3O4C23H30 (1)

Stoich.:

ABC3D4E23F30 (1)

Weight, g/mol:

601.333871

ΔHf, kcal/mol:

-181.62

Dipole, Da:

8.1

IP(EA), eV:

 -9.02(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4,4-dimethyl-3-[[3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]-2-oxopentyl]amino]-2,6-dimethylhept-2-enoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)OC)NC2CCC(C2)C3=CC=C(C=C3)C(=O)NCCS(=O)(=O)N

DOS

IR

Vibrations