Geometry & MOs

Info

ID:	223576
PubChem CID:	85335262
Reduced:	OF3N3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	439.133255
ΔH_f, kcal/mol:	-129.21
Dipole, Da:	3.8
IP(EA), eV:	-7.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl N-[2-(1H-pyrrol-2-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC3=C(C=C2)C=C(C=C3)NC(=O)C=CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations