Geometry & MOs

Info

ID:

96327

PubChem CID:

50019808

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-264.0

Dipole, Da:

11.33

IP(EA), eV:

 -8.81(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations