Geometry & MOs

Info

ID:

102374

PubChem CID:

50066728

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

736.318475

ΔHf, kcal/mol:

-238.22

Dipole, Da:

10.15

IP(EA), eV:

 -8.86(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations