Geometry & MOs

Info

ID:

118129

PubChem CID:

50630166

Reduced:

ClN5O5C28H36 (1)

Stoich.:

AB5C5D28E36 (1)

Weight, g/mol:

690.293261

ΔHf, kcal/mol:

-190.87

Dipole, Da:

10.94

IP(EA), eV:

 -8.88(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methoxy-5-(phenylcarbamoyl)anilino]-3-oxopropyl]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)N(C)C)Cl

DOS

IR

Vibrations