Geometry & MOs

Info

ID:	201407
PubChem CID:	79535982
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	390.99115
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	3.46
IP(EA), eV:	-9.21(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-2-yl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCCCC2C3CCCC3O

DOS

IR

Vibrations