Geometry & MOs

Info

ID:	42113
PubChem CID:	8149203
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	368.128017
ΔH_f, kcal/mol:	-97.6
Dipole, Da:	3.51
IP(EA), eV:	-8.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CNC3=CC=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations