Geometry & MOs

Info

ID:

107685

PubChem CID:

50214720

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-216.77

Dipole, Da:

7.46

IP(EA), eV:

 -8.68(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-chloroanilino)-1-oxopropan-2-yl]-1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC=C3C(=O)NC)C)C

DOS

IR

Vibrations