Geometry & MOs

Info

ID:

101083

PubChem CID:

50064340

Reduced:

FN5O5C37H38 (1)

Stoich.:

AB5C5D37E38 (1)

Weight, g/mol:

655.23616

ΔHf, kcal/mol:

-177.19

Dipole, Da:

13.91

IP(EA), eV:

 -8.84(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]-4-methylphenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations