Geometry & MOs

Info

ID:	233002
PubChem CID:	87577925
Reduced:	ClON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	251.05509
ΔH_f, kcal/mol:	7.95
Dipole, Da:	6.23
IP(EA), eV:	-8.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4H-1,3-benzothiazin-2-yl)-3-ethylthiourea

Drug info:

PubChemData

Smile

CCC(N1CCC[C@H]1C)OC2=CC=C(C=C2)C3=NN=C(C=C3)Cl

DOS

IR

Vibrations