Geometry & MOs

Info

ID:	112572
PubChem CID:	50411930
Reduced:	ClO4N5C29H36 (1)
Stoich.:	AB4C5D29E36 (1)
Weight, g/mol:	559.259483
ΔH_f, kcal/mol:	-150.26
Dipole, Da:	7.28
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-fluorobenzoyl)amino]phenyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCC4)C(=O)NC

DOS

IR

Vibrations