Geometry & MOs

Info

ID:	34010
PubChem CID:	7889413
Reduced:	N3O3S3C15H19 (1)
Stoich.:	A3B3C3D15E19 (1)
Weight, g/mol:	399.074505
ΔH_f, kcal/mol:	-80.37
Dipole, Da:	6.44
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations