Geometry & MOs

Info

ID:

108209

PubChem CID:

50235618

Reduced:

ClO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-154.3

Dipole, Da:

3.15

IP(EA), eV:

 -8.4(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5Cl)C

DOS

IR

Vibrations