Geometry & MOs

Info

ID:

94394

PubChem CID:

50000662

Reduced:

SO4N7C28H41 (1)

Stoich.:

AB4C7D28E41 (1)

Weight, g/mol:

573.251811

ΔHf, kcal/mol:

-155.04

Dipole, Da:

6.28

IP(EA), eV:

 -9.36(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=NN=C(S3)C(C)C

DOS

IR

Vibrations