Geometry & MOs

Info

ID:

223891

PubChem CID:

85335709

Reduced:

SF2O4N6C33H36 (1)

Stoich.:

AB2C4D6E33F36 (1)

Weight, g/mol:

649.343961

ΔHf, kcal/mol:

-164.87

Dipole, Da:

7.27

IP(EA), eV:

 -8.48(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(benzylamino)methyl 3-amino-3-(3,5-difluorophenyl)-2-[[3-(dipropylcarbamoyl)benzoyl]amino]-2-propylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=C(C3C(S2)N(C(=O)N(C3=O)C4=CC=CC=N4)CC5=C(C=CC=C5F)F)CN(C)CCOCC

DOS

IR

Vibrations