Geometry & MOs

Info

ID:

179903

PubChem CID:

76552510

Reduced:

BrFN4O7C28H34 (1)

Stoich.:

ABC4D7E28F34 (1)

Weight, g/mol:

583.244227

ΔHf, kcal/mol:

-289.34

Dipole, Da:

2.83

IP(EA), eV:

 -9.2(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenoxy]carbonyloxybutyl 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)Br)F)C(=O)CC)N

DOS

IR

Vibrations