Geometry & MOs

Info

ID:

93758

PubChem CID:

49996506

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-229.6

Dipole, Da:

5.68

IP(EA), eV:

 -8.76(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(5-fluoro-2-methylphenyl)carbamoyl]-6-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)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)N)C

DOS

IR

Vibrations