Geometry & MOs

Info

ID:

118297

PubChem CID:

50637700

Reduced:

Cl2O5N6C37H50 (1)

Stoich.:

A2B5C6D37E50 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-243.56

Dipole, Da:

6.52

IP(EA), eV:

 -9.06(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations