Geometry & MOs

Info

ID:

113248

PubChem CID:

50437151

Reduced:

ClFO5N6C41H50 (1)

Stoich.:

ABC5D6E41F50 (1)

Weight, g/mol:

619.23616

ΔHf, kcal/mol:

-257.97

Dipole, Da:

9.6

IP(EA), eV:

 -8.87(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl)C

DOS

IR

Vibrations