Geometry & MOs

Info

ID:	105203
PubChem CID:	50106632
Reduced:	ClO5N6C28H35 (1)
Stoich.:	AB5C6D28E35 (1)
Weight, g/mol:	530.269319
ΔH_f, kcal/mol:	-194.54
Dipole, Da:	6.75
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C

DOS

IR

Vibrations