Geometry & MOs

Info

ID:

100902

PubChem CID:

50064154

Reduced:

FN5O5C32H36 (1)

Stoich.:

AB5C5D32E36 (1)

Weight, g/mol:

575.254397

ΔHf, kcal/mol:

-213.21

Dipole, Da:

7.74

IP(EA), eV:

 -8.35(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamido-4-methoxyphenyl)-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C)OC

DOS

IR

Vibrations