Geometry & MOs

Info

ID:

95519

PubChem CID:

50009980

Reduced:

FO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

567.261232

ΔHf, kcal/mol:

-242.86

Dipole, Da:

11.48

IP(EA), eV:

 -8.68(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations