Geometry & MOs

Info

ID:

222802

PubChem CID:

85332567

Reduced:

ClF2N4O5C25H27 (1)

Stoich.:

AB2C4D5E25F27 (1)

Weight, g/mol:

541.135886

ΔHf, kcal/mol:

-214.18

Dipole, Da:

4.39

IP(EA), eV:

 -8.8(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylmethyl)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

C1CC(C1)ON=C(C2=CC=C(C=C2)CNC(=O)C3CCN3C(=O)C(C4=CC(=CC(=C4)Cl)OC(F)F)O)N

DOS

IR

Vibrations