Geometry & MOs

Info

ID:	192898
PubChem CID:	78323004
Reduced:	OSN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	43.55
Dipole, Da:	2.09
IP(EA), eV:	-8.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-4-yl)-7-phenylthieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC1CN2C=NC3=C(C2=O)SC=C3C4=CC=CC=C4

DOS

IR

Vibrations