Geometry & MOs

Info

ID:

110067

PubChem CID:

50307859

Reduced:

FO5N6C37H37 (1)

Stoich.:

AB5C6D37E37 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-171.2

Dipole, Da:

10.26

IP(EA), eV:

 -8.8(-0.52)

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-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations