Geometry & MOs

Info

ID:	37982
PubChem CID:	8026232
Reduced:	OSN4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	384.05779
ΔH_f, kcal/mol:	65.36
Dipole, Da:	5.03
IP(EA), eV:	-9.24(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=NC5=CC=CC=C5N=C4

DOS

IR

Vibrations