Geometry & MOs

Info

ID:

101103

PubChem CID:

50064361

Reduced:

F2N5O5C34H37 (1)

Stoich.:

A2B5C5D34E37 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-251.14

Dipole, Da:

10.46

IP(EA), eV:

 -8.79(-0.6)

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-ethylphenyl)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=CC(=CC=C5)OC

DOS

IR

Vibrations