Geometry & MOs

Info

ID:

214733

PubChem CID:

85083496

Reduced:

F3O4N9C25H40 (1)

Stoich.:

A3B4C9D25E40 (1)

Weight, g/mol:

587.191354

ΔHf, kcal/mol:

-295.27

Dipole, Da:

1.65

IP(EA), eV:

 -9.52(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(3-amino-3-phenylpropanoyl)amino]butanoyl]-3,4-dichloro-N-[3-hydroxy-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C(=O)NC(CCCN=C(N)N)C(=O)COCC(F)(F)F)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations