Geometry & MOs

Info

ID:

118073

PubChem CID:

50627722

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

621.11537

ΔHf, kcal/mol:

-219.47

Dipole, Da:

5.87

IP(EA), eV:

 -9.24(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-1-[1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(CC)CC)C

DOS

IR

Vibrations