Geometry & MOs

Info

ID:

219055

PubChem CID:

85090417

Reduced:

FN4O4C31H33 (1)

Stoich.:

AB4C4D31E33 (1)

Weight, g/mol:

544.2897

ΔHf, kcal/mol:

-168.37

Dipole, Da:

5.22

IP(EA), eV:

 -8.35(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[2-[[2-[[2-(4-cyanophenyl)acetyl]amino]acetyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CC2=C(NC1)N=C(C=C2)CCC3CCN(C3=O)CC(=O)NC(CC(=O)O)C4=CC(=C(C=C4)C5=CC=CC=C5)F

DOS

IR

Vibrations