Geometry & MOs

Info

ID:

94542

PubChem CID:

50002187

Reduced:

FO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-217.65

Dipole, Da:

9.91

IP(EA), eV:

 -8.83(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[5-chloro-2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations