Geometry & MOs

Info

ID:	223639
PubChem CID:	85335349
Reduced:	ON7C27H35 (1)
Stoich.:	AB7C27D35 (1)
Weight, g/mol:	468.159804
ΔH_f, kcal/mol:	46.45
Dipole, Da:	4.37
IP(EA), eV:	-8.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)-N-methylcarbamate

Drug info:

PubChemData

Smile

CCC(C1NC2C(CNN2)C(=O)N1CC3=CC=CC=C3)N4CCCC(C4)C5=NC6=CC=CC=C6N5

DOS

IR

Vibrations