Geometry & MOs

Info

ID:	31704
PubChem CID:	858256
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	296.06532
ΔH_f, kcal/mol:	30.11
Dipole, Da:	7.1
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)N

DOS

IR

Vibrations