Geometry & MOs

Info

ID:	186120
PubChem CID:	77391812
Reduced:	NO9C24H27 (1)
Stoich.:	AB9C24D27 (1)
Weight, g/mol:	337.042908
ΔH_f, kcal/mol:	-326.97
Dipole, Da:	5.21
IP(EA), eV:	-8.67(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,4-dioxo-4aH-thieno[2,3-d]pyrimidin-1-ium-5-yl)-2-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC(COC2=CC(=CC3=C2C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)O)O

DOS

IR

Vibrations