Geometry & MOs

Info

ID:	56047
PubChem CID:	17403984
Reduced:	OS2N3H7C8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	22.52
Dipole, Da:	3.42
IP(EA), eV:	-9.41(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-prop-2-enyl-2-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CSC2=C1N=CN=C2SCC(=O)N

DOS

IR

Vibrations