Geometry & MOs

Info

ID:

90539

PubChem CID:

49970238

Reduced:

N3O3C19H26 (2)

Stoich.:

A3B3C19D26 (2)

Weight, g/mol:

720.399919

ΔHf, kcal/mol:

-255.18

Dipole, Da:

3.44

IP(EA), eV:

 -8.55(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C(C)C

DOS

IR

Vibrations