Geometry & MOs

Info

ID:

54092

PubChem CID:

14720065

Reduced:

F2N7O9C46H65 (1)

Stoich.:

A2B7C9D46E65 (1)

Weight, g/mol:

485.270128

ΔHf, kcal/mol:

-524.62

Dipole, Da:

8.1

IP(EA), eV:

 -9.22(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2,2-difluoro-3-hydroxy-6-methyl-1-[2-[(2-phenylacetyl)amino]propanoylamino]heptan-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)O)NC(=O)C(CC2=CN(C=N2)C(=O)OC(C)(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations