Geometry & MOs

Info

ID:

190256

PubChem CID:

77977904

Reduced:

O7N8C24H34 (1)

Stoich.:

A7B8C24D34 (1)

Weight, g/mol:

469.253648

ΔHf, kcal/mol:

-237.84

Dipole, Da:

4.75

IP(EA), eV:

 -9.43(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-amino-3-methylbutanoyl)-N-[1-[5-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(C(CO)O)OCN2C=NC3=C(N=C(N=C32)CC4CCN(CC4)C(=O)OC5CCNC5=O)N

DOS

IR

Vibrations