Geometry & MOs

Info

ID:

99968

PubChem CID:

50056667

Reduced:

ClF2O5N6C37H43 (1)

Stoich.:

AB2C5D6E37F43 (1)

Weight, g/mol:

649.253432

ΔHf, kcal/mol:

-286.33

Dipole, Da:

5.0

IP(EA), eV:

 -8.49(-0.48)

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-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)Cl

DOS

IR

Vibrations