Geometry & MOs

Info

ID:	33636
PubChem CID:	7887296
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	399.074505
ΔH_f, kcal/mol:	-148.63
Dipole, Da:	3.82
IP(EA), eV:	-8.79(-1.08)
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-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations