Geometry & MOs

Info

ID:

119347

PubChem CID:

50679854

Reduced:

ClN6O6C30H37 (1)

Stoich.:

AB6C6D30E37 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-227.86

Dipole, Da:

5.77

IP(EA), eV:

 -9.27(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-fluoro-3-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations