Geometry & MOs

Info

ID:	34009
PubChem CID:	7889400
Reduced:	ClOS2N4H11C14 (1)
Stoich.:	ABC2D4E11F14 (1)
Weight, g/mol:	385.058855
ΔH_f, kcal/mol:	40.8
Dipole, Da:	4.01
IP(EA), eV:	-9.15(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations