Geometry & MOs

Info

ID:

179901

PubChem CID:

76552508

Reduced:

FN5O7C29H34 (1)

Stoich.:

AB5C7D29E34 (1)

Weight, g/mol:

622.14384

ΔHf, kcal/mol:

-260.39

Dipole, Da:

2.41

IP(EA), eV:

 -9.73(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenoxy]carbonyloxypropyl 2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OCCCOC(=O)OC1=C(C=CC(=C1C2CC2NC(=O)NC3=NC=C(C=C3)C#N)F)C(=O)CC)N

DOS

IR

Vibrations