Geometry & MOs

Info

ID:

117674

PubChem CID:

50610230

Reduced:

ClN5O5C30H40 (1)

Stoich.:

AB5C5D30E40 (1)

Weight, g/mol:

702.269939

ΔHf, kcal/mol:

-207.91

Dipole, Da:

5.12

IP(EA), eV:

 -8.83(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-chloro-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=CC=C3)OC)Cl

DOS

IR

Vibrations