Geometry & MOs

Info

ID:

114116

PubChem CID:

50472404

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-274.05

Dipole, Da:

10.83

IP(EA), eV:

 -9.01(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)F)F)F

DOS

IR

Vibrations