Geometry & MOs

Info

ID:

93309

PubChem CID:

49993127

Reduced:

O5N6C41H52 (1)

Stoich.:

A5B6C41D52 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-201.91

Dipole, Da:

11.33

IP(EA), eV:

 -8.77(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-carbamoyl-2-methylanilino)-3-oxopropyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations