Geometry & MOs

Info

ID:

100159

PubChem CID:

50058850

Reduced:

F2O5N6C41H50 (1)

Stoich.:

A2B5C6D41E50 (1)

Weight, g/mol:

758.396725

ΔHf, kcal/mol:

-282.34

Dipole, Da:

8.02

IP(EA), eV:

 -8.87(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations