Geometry & MOs

Info

ID:

112328

PubChem CID:

50402491

Reduced:

FO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-269.82

Dipole, Da:

6.93

IP(EA), eV:

 -8.61(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-fluoro-3-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F)C

DOS

IR

Vibrations