Geometry & MOs

Info

ID:	204854
PubChem CID:	80021465
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	1.91
IP(EA), eV:	-9.01(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-sulfanylpropyl)-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N(C(=O)N2)CC3(CC3)CS

DOS

IR

Vibrations