Geometry & MOs

Info

ID:

114869

PubChem CID:

50500343

Reduced:

Cl2O4N5C34H43 (1)

Stoich.:

A2B4C5D34E43 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-182.03

Dipole, Da:

9.23

IP(EA), eV:

 -8.99(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2,6-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC(C5)C

DOS

IR

Vibrations