Geometry & MOs

Info

ID:

99743

PubChem CID:

50054743

Reduced:

F2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

663.28684

ΔHf, kcal/mol:

-216.33

Dipole, Da:

8.4

IP(EA), eV:

 -8.71(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,5-dimethoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C)C

DOS

IR

Vibrations