Geometry & MOs

Info

ID:	189867
PubChem CID:	77917188
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	379.113667
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	3.88
IP(EA), eV:	-8.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide

Drug info:

PubChemData

Smile

CCC1=NC2=C(N=CN=C2O1)N3CC(C(C3)(C(C)C)O)C

DOS

IR

Vibrations