Geometry & MOs

Info

ID:

117845

PubChem CID:

50617981

Reduced:

ClN6O6C37H49 (1)

Stoich.:

AB6C6D37E49 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-235.91

Dipole, Da:

8.61

IP(EA), eV:

 -8.87(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[1-[2-fluoro-5-[(4-methylbenzoyl)amino]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)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)OC)Cl

DOS

IR

Vibrations