Geometry & MOs

Info

ID:	169751
PubChem CID:	75143423
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	3.93
IP(EA), eV:	-8.57(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCNCC1NC2C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1

DOS

IR

Vibrations