Geometry & MOs

Info

ID:

117287

PubChem CID:

50597493

Reduced:

ClN6O6C36H49 (1)

Stoich.:

AB6C6D36E49 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-258.05

Dipole, Da:

2.69

IP(EA), eV:

 -9.07(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)Cl

DOS

IR

Vibrations