Geometry & MOs

Info

ID:

119338

PubChem CID:

50679024

Reduced:

ClN6O6C34H37 (1)

Stoich.:

AB6C6D34E37 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-189.86

Dipole, Da:

7.36

IP(EA), eV:

 -9.21(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations