Geometry & MOs

Info

ID:

54081

PubChem CID:

14720012

Reduced:

FN2O3C16H25 (2)

Stoich.:

AB2C3D16E25 (2)

Weight, g/mol:

624.369842

ΔHf, kcal/mol:

-420.18

Dipole, Da:

3.96

IP(EA), eV:

 -9.32(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-2,2-difluoro-6-methyl-1-(3-methylbutanoylamino)-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)CC(C(=O)C(CNC(=O)CC(C)C)(F)F)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations