Geometry & MOs

Info

ID:

179902

PubChem CID:

76552509

Reduced:

BrFN4O7C27H32 (1)

Stoich.:

ABC4D7E27F32 (1)

Weight, g/mol:

636.15949

ΔHf, kcal/mol:

-276.4

Dipole, Da:

7.89

IP(EA), eV:

 -9.17(-1.18)

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-methylpentanoate

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)OC(=O)OCCCOC(=O)C(C(C)C)N

DOS

IR

Vibrations