Geometry & MOs

Info

ID:	36349
PubChem CID:	8002048
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	295.077933
ΔH_f, kcal/mol:	-82.5
Dipole, Da:	7.06
IP(EA), eV:	-8.69(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C[C@H]2C(=O)N=C(S2)N3CCOCC3

DOS

IR

Vibrations