Geometry & MOs

Info

ID:

220103

PubChem CID:

85165245

Reduced:

N5O8H33C35 (1)

Stoich.:

A5B8C33D35 (1)

Weight, g/mol:

651.347943

ΔHf, kcal/mol:

-221.65

Dipole, Da:

5.15

IP(EA), eV:

 -9.28(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-2-[[4-methyl-2-[[3-methyl-2-[[4-[methyl(phenylmethoxy)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(=NC(=O)OCC2=CC=CC=C2)NC3=CC=C(C=C3)OC(=O)C(CCC(=O)N)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations