Geometry & MOs

Info

ID:	28577
PubChem CID:	828426
Reduced:	NSO2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	2.04
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yloxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(OC3=O)CCC4=CC=CC=C4

DOS

IR

Vibrations