Geometry & MOs

Info

ID:

114096

PubChem CID:

50471428

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

750.446869

ΔHf, kcal/mol:

-280.62

Dipole, Da:

8.86

IP(EA), eV:

 -8.87(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)F

DOS

IR

Vibrations