Geometry & MOs

Info

ID:	42742
PubChem CID:	8149941
Reduced:	OSN3C19H29 (1)
Stoich.:	ABC3D19E29 (1)
Weight, g/mol:	347.203134
ΔH_f, kcal/mol:	-59.07
Dipole, Da:	3.57
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN3CCC(CC3)C)C

DOS

IR

Vibrations