Geometry & MOs

Info

ID:	58865
PubChem CID:	24714994
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-96.94
Dipole, Da:	5.22
IP(EA), eV:	-8.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl(methyl)amino]methyl]-5-(2-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1)CC(C)(C)O

DOS

IR

Vibrations