Geometry & MOs

Info

ID:

114583

PubChem CID:

50489232

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

688.337319

ΔHf, kcal/mol:

-181.59

Dipole, Da:

8.91

IP(EA), eV:

 -8.83(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-methyl-3-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NC)Cl)C

DOS

IR

Vibrations