Geometry & MOs

Info

ID:

107456

PubChem CID:

50203710

Reduced:

F4O4N5C32H33 (1)

Stoich.:

A4B4C5D32E33 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-304.89

Dipole, Da:

6.9

IP(EA), eV:

 -8.99(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations