Geometry & MOs

Info

ID:	42114
PubChem CID:	8149204
Reduced:	SN3O5C16H22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	367.120192
ΔH_f, kcal/mol:	-166.55
Dipole, Da:	9.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774108
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-2-(morpholin-4-ylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCOCC3)C(=O)OCCOC

DOS

IR

Vibrations