Geometry & MOs

Info

ID:	95599
PubChem CID:	50010600
Reduced:	ClO4N5C29H36 (1)
Stoich.:	AB4C5D29E36 (1)
Weight, g/mol:	541.268905
ΔH_f, kcal/mol:	-153.31
Dipole, Da:	4.53
IP(EA), eV:	-9.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzamidophenyl)-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations