Geometry & MOs

Info

ID:

54094

PubChem CID:

14720088

Reduced:

F2N3O5C24H37 (1)

Stoich.:

A2B3C5D24E37 (1)

Weight, g/mol:

612.369842

ΔHf, kcal/mol:

-364.34

Dipole, Da:

5.04

IP(EA), eV:

 -9.54(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[2,2-difluoro-3-hydroxy-6-methyl-1-(2-methylpropanoylamino)heptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC(C([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)(F)F)NC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations