Geometry & MOs

Info

ID:	361333
PubChem CID:	127302528
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	394.193966
ΔH_f, kcal/mol:	-48.93
Dipole, Da:	4.12
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethyl-1,4-diazepan-1-yl)-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN4CCOCC4)NCC5(CCC5)O

DOS

IR

Vibrations