Geometry & MOs

Info

ID:

54103

PubChem CID:

14720149

Reduced:

F2N3O6C26H33 (1)

Stoich.:

A2B3C6D26E33 (1)

Weight, g/mol:

756.463742

ΔHf, kcal/mol:

-368.62

Dipole, Da:

2.83

IP(EA), eV:

 -8.84(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[2,2-difluoro-6-methyl-1-[[4-methyl-2-(3-phenylpropyl)pentanoyl]amino]-3-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NCC(C([C@H](CC1=CC=C(C=C1)NC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)O)(F)F

DOS

IR

Vibrations