Geometry & MOs

Info

ID:

119626

PubChem CID:

50694330

Reduced:

ClFO4N5C33H35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

674.275024

ΔHf, kcal/mol:

-165.47

Dipole, Da:

4.64

IP(EA), eV:

 -9.06(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[3-[3-chloro-4-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations