Geometry & MOs

Info

ID:

177023

PubChem CID:

76125772

Reduced:

N2O2F3C31H39 (1)

Stoich.:

A2B2C3D31E39 (1)

Weight, g/mol:

789.463641

ΔHf, kcal/mol:

-257.18

Dipole, Da:

8.64

IP(EA), eV:

 -9.15(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoyl]-N-[1-[[1-[2-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclopentyl]-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC12CCCC1C3CN(C4=CC(=O)CCC4(C3CC2)C)C(=O)NC5(CCCC5)C6=CC(=CC=C6)C(F)(F)F

DOS

IR

Vibrations