Geometry & MOs

Info

ID:	69393
PubChem CID:	46531204
Reduced:	OS2N4H10C12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	365.97075
ΔH_f, kcal/mol:	106.35
Dipole, Da:	5.06
IP(EA), eV:	-9.17(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)sulfonyl-N-methylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)CSC3=NN=CS3

DOS

IR

Vibrations