Geometry & MOs

Info

ID:	113036
PubChem CID:	50429758
Reduced:	FO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-202.16
Dipole, Da:	6.42
IP(EA), eV:	-8.77(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-chlorophenyl)-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C)F)C

DOS

IR

Vibrations