Geometry & MOs

Info

ID:

93810

PubChem CID:

49996874

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-250.55

Dipole, Da:

4.05

IP(EA), eV:

 -8.8(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclohexanecarbonylamino)-3-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)CC5=CC=C(C=C5)F)C

DOS

IR

Vibrations