Geometry & MOs

Info

ID:

109402

PubChem CID:

50283033

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-209.83

Dipole, Da:

5.43

IP(EA), eV:

 -8.75(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations