Geometry & MOs

Info

ID:

94199

PubChem CID:

49998992

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-237.72

Dipole, Da:

6.9

IP(EA), eV:

 -8.9(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations