Geometry & MOs

Info

ID:

111892

PubChem CID:

50385435

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-233.0

Dipole, Da:

7.06

IP(EA), eV:

 -8.8(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5)C

DOS

IR

Vibrations