Geometry & MOs

Info

ID:	33629
PubChem CID:	7887281
Reduced:	O2S2N4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	385.058855
ΔH_f, kcal/mol:	-54.67
Dipole, Da:	3.4
IP(EA), eV:	-9.0(-1.2)
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-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)NC(=O)NC)C

DOS

IR

Vibrations