Geometry & MOs

Info

ID:	33397
PubChem CID:	7886251
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-45.45
Dipole, Da:	6.44
IP(EA), eV:	-8.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCOC)C)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations