Geometry & MOs

Info

ID:

117030

PubChem CID:

50585818

Reduced:

ClN5O6C32H42 (1)

Stoich.:

AB5C6D32E42 (1)

Weight, g/mol:

730.324561

ΔHf, kcal/mol:

-244.47

Dipole, Da:

11.39

IP(EA), eV:

 -8.54(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-[(2-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations