Geometry & MOs

Info

ID:

105543

PubChem CID:

50111246

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-213.45

Dipole, Da:

9.65

IP(EA), eV:

 -8.95(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylphenyl]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=C(C=C4)C(=O)N)C)C

DOS

IR

Vibrations