Geometry & MOs

Info

ID:

90588

PubChem CID:

49970530

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-230.44

Dipole, Da:

10.03

IP(EA), eV:

 -8.85(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCC(CC5)C)C)C

DOS

IR

Vibrations