Geometry & MOs

Info

ID:

101286

PubChem CID:

50064545

Reduced:

F2N5O6C35H39 (1)

Stoich.:

A2B5C6D35E39 (1)

Weight, g/mol:

647.291926

ΔHf, kcal/mol:

-287.35

Dipole, Da:

7.18

IP(EA), eV:

 -8.53(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)OC)OC

DOS

IR

Vibrations