Geometry & MOs

Info

ID:

120361

PubChem CID:

50724090

Reduced:

ClO5N6C39H55 (1)

Stoich.:

AB5C6D39E55 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-246.99

Dipole, Da:

8.81

IP(EA), eV:

 -8.25(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamidoanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations