Geometry & MOs

Info

ID:

97508

PubChem CID:

50032193

Reduced:

F2N5O5C33H37 (1)

Stoich.:

A2B5C5D33E37 (1)

Weight, g/mol:

708.282696

ΔHf, kcal/mol:

-250.24

Dipole, Da:

1.5

IP(EA), eV:

 -8.92(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations