Geometry & MOs

Info

ID:

116977

PubChem CID:

50583307

Reduced:

Cl2O5N6C37H50 (1)

Stoich.:

A2B5C6D37E50 (1)

Weight, g/mol:

764.326453

ΔHf, kcal/mol:

-248.47

Dipole, Da:

7.28

IP(EA), eV:

 -8.81(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C(C)C)Cl)Cl

DOS

IR

Vibrations