Geometry & MOs

Info

ID:	375192
PubChem CID:	131472818
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	221.098669
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	6.31
IP(EA), eV:	-9.07(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C(C=C(C(=C21)Br)CC(=O)O)O

DOS

IR

Vibrations