Geometry & MOs

Info

ID:

105119

PubChem CID:

50106409

Reduced:

F2O3N4C30H32 (1)

Stoich.:

A2B3C4D30E32 (1)

Weight, g/mol:

602.265296

ΔHf, kcal/mol:

-174.65

Dipole, Da:

3.47

IP(EA), eV:

 -8.83(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-[(2-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations