Geometry & MOs

Info

ID:

117758

PubChem CID:

50614299

Reduced:

ClFO5N6C40H50 (1)

Stoich.:

ABC5D6E40F50 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-245.48

Dipole, Da:

4.96

IP(EA), eV:

 -8.85(-0.7)

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-(cyclohexanecarbonylamino)-4-methylanilino]-3-methyl-1-oxobutan-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)C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)CC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations