Geometry & MOs

Info

ID:	352741
PubChem CID:	127283830
Reduced:	O2S2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	387.107519
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	2.68
IP(EA), eV:	-8.3(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-(4-methylphenyl)-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CN3CCS(=O)CC3

DOS

IR

Vibrations