Geometry & MOs

Info

ID:

108741

PubChem CID:

50256728

Reduced:

FO5N6C37H37 (1)

Stoich.:

AB5C6D37E37 (1)

Weight, g/mol:

748.295152

ΔHf, kcal/mol:

-163.86

Dipole, Da:

6.66

IP(EA), eV:

 -8.69(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations