Geometry & MOs

Info

ID:	58754
PubChem CID:	24714820
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-79.82
Dipole, Da:	3.75
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CN(C)CC1=NC2=C(C(=C(S2)C)C)C(=O)N1)O

DOS

IR

Vibrations