Geometry & MOs

Info

ID:	58755
PubChem CID:	24714823
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-69.09
Dipole, Da:	5.18
IP(EA), eV:	-8.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=NC2=C(C(=C(S2)C)C)C(=O)N1)CC(CCC=C)O

DOS

IR

Vibrations