Geometry & MOs

Info

ID:

115751

PubChem CID:

50532851

Reduced:

ClFN5O5C35H39 (1)

Stoich.:

ABC5D5E35F39 (1)

Weight, g/mol:

630.235746

ΔHf, kcal/mol:

-212.96

Dipole, Da:

5.94

IP(EA), eV:

 -8.35(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamidophenyl)-1-[1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)OC)Cl

DOS

IR

Vibrations