Geometry & MOs

Info

ID:

106344

PubChem CID:

50158655

Reduced:

FO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-190.16

Dipole, Da:

9.92

IP(EA), eV:

 -8.77(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations