Geometry & MOs

Info

ID:

96938

PubChem CID:

50026112

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-223.56

Dipole, Da:

7.9

IP(EA), eV:

 -8.9(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations