Geometry & MOs

Info

ID:	40872
PubChem CID:	8144880
Reduced:	SO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	319.086487
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	5.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814270
Charge, e:	1

Chem-info

IUPAC name:

[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[2-(methylamino)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)N(C=N2)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations