Geometry & MOs

Info

ID:

112400

PubChem CID:

50405861

Reduced:

FO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-206.7

Dipole, Da:

6.82

IP(EA), eV:

 -9.13(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)F)C)C

DOS

IR

Vibrations