Geometry & MOs

Info

ID:

95638

PubChem CID:

50011033

Reduced:

O4N5C30H41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

511.259483

ΔHf, kcal/mol:

-166.97

Dipole, Da:

6.15

IP(EA), eV:

 -8.65(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-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)NC(C)C(=O)NC3=CC=CC=C3C(C)C

DOS

IR

Vibrations