Geometry & MOs

Info

ID:	58753
PubChem CID:	24714818
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-76.06
Dipole, Da:	7.77
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxybutyl(methyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=NC3=C(C(=C(S3)C(=O)C)C)C(=O)N2

DOS

IR

Vibrations