Geometry & MOs

Info

ID:

94820

PubChem CID:

50004042

Reduced:

F2O4N5C29H37 (1)

Stoich.:

A2B4C5D29E37 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-254.26

Dipole, Da:

4.23

IP(EA), eV:

 -8.89(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations