Geometry & MOs

Info

ID:

114552

PubChem CID:

50488136

Reduced:

FSO4N5C34H38 (1)

Stoich.:

ABC4D5E34F38 (1)

Weight, g/mol:

619.23616

ΔHf, kcal/mol:

-168.42

Dipole, Da:

4.89

IP(EA), eV:

 -8.39(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)SC)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations