Geometry & MOs

Info

ID:	366102
PubChem CID:	127319463
Reduced:	ClN2S2O5C14H19 (1)
Stoich.:	AB2C2D5E14F19 (1)
Weight, g/mol:	385.058855
ΔH_f, kcal/mol:	-206.11
Dipole, Da:	4.98
IP(EA), eV:	-9.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,1-dioxothian-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCCS(=O)(=O)C1)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations