Geometry & MOs

Info

ID:	33710
PubChem CID:	7887608
Reduced:	FN2O6H17C18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	412.01561
ΔH_f, kcal/mol:	-190.33
Dipole, Da:	6.65
IP(EA), eV:	-9.18(-1.12)
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-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations