Geometry & MOs

Info

ID:

119965

PubChem CID:

50708924

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

557.240497

ΔHf, kcal/mol:

-141.15

Dipole, Da:

6.05

IP(EA), eV:

 -8.85(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methoxyphenyl]-1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations