Geometry & MOs

Info

ID:

105106

PubChem CID:

50106385

Reduced:

F2O3N4C30H32 (1)

Stoich.:

A2B3C4D30E32 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-175.62

Dipole, Da:

9.85

IP(EA), eV:

 -8.67(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]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)NC4=C(C=CC(=C4)F)C

DOS

IR

Vibrations