Geometry & MOs

Info

ID:	170678
PubChem CID:	75266921
Reduced:	NOSH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	305.065654
ΔH_f, kcal/mol:	6.13
Dipole, Da:	3.75
IP(EA), eV:	-9.04(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CC(=O)C3=CC=CS3)C

DOS

IR

Vibrations