Geometry & MOs

Info

ID:

111656

PubChem CID:

50376774

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-223.92

Dipole, Da:

5.28

IP(EA), eV:

 -9.05(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C(=O)NC5CCCC5

DOS

IR

Vibrations