Geometry & MOs

Info

ID:	16831
PubChem CID:	477149
Reduced:	ClNOSC16H20 (1)
Stoich.:	ABCDE16F20 (1)
Weight, g/mol:	309.095413
ΔH_f, kcal/mol:	-41.45
Dipole, Da:	1.51
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-cyclopentyl-4-propyl-3,1-benzoxazine-2-thiol

Drug info:

PubChemData

Smile

CCCC1(C2=C(C=CC(=C2)Cl)N=C(O1)S)C3CCCC3

DOS

IR

Vibrations