Geometry & MOs

Info

ID:	183655
PubChem CID:	77049616
Reduced:	ClS2N3O3H10C11 (1)
Stoich.:	AB2C3D3E10F11 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-45.83
Dipole, Da:	2.8
IP(EA), eV:	-8.95(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)NS(=O)(=O)C3=CC(C(=O)N=C3)Cl

DOS

IR

Vibrations