Geometry & MOs

Info

ID:	266794
PubChem CID:	103579461
Reduced:	BrOSN4C13H15 (1)
Stoich.:	ABCD4E13F15 (1)
Weight, g/mol:	255.104148
ΔH_f, kcal/mol:	18.39
Dipole, Da:	2.44
IP(EA), eV:	-9.67(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)Br)NC(=O)C2=C(N=NS2)C(C)(C)C

DOS

IR

Vibrations