Geometry & MOs

Info

ID:	203028
PubChem CID:	79764306
Reduced:	BrNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	287.05509
ΔH_f, kcal/mol:	-182.14
Dipole, Da:	4.41
IP(EA), eV:	-9.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(naphthalen-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine

Drug info:

PubChemData

Smile

COC(=O)CC1CN(CCO1)S(=O)(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations