Geometry & MOs

Info

ID:

102296

PubChem CID:

50066061

Reduced:

ClF2O5N6C39H43 (1)

Stoich.:

AB2C5D6E39F43 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-276.39

Dipole, Da:

10.27

IP(EA), eV:

 -9.1(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-5-chlorophenyl]-1-[1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)NC6CCCC6

DOS

IR

Vibrations