Geometry & MOs

Info

ID:

54069

PubChem CID:

14719975

Reduced:

F2N5O10C27H41 (1)

Stoich.:

A2B5C10D27E41 (1)

Weight, g/mol:

757.422606

ΔHf, kcal/mol:

-574.79

Dipole, Da:

10.09

IP(EA), eV:

 -9.98(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-2,2-difluoro-6-methyl-3-oxoheptan-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(=O)C(CNC(=O)C(C)C(=O)O)(F)F)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)OC

DOS

IR

Vibrations