Geometry & MOs

Info

ID:

54090

PubChem CID:

14720052

Reduced:

F2N7O9C53H65 (1)

Stoich.:

A2B7C9D53E65 (1)

Weight, g/mol:

793.422606

ΔHf, kcal/mol:

-456.38

Dipole, Da:

4.08

IP(EA), eV:

 -8.76(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-2,2-difluoro-3-hydroxy-6-methylheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)O)NC(=O)[C@H](CC2=CN(C=N2)C(=O)OC(C)(C)C)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations