Geometry & MOs

Info

ID:	307923
PubChem CID:	125310762
Reduced:	S2O3N7H17C19 (1)
Stoich.:	A2B3C7D17E19 (1)
Weight, g/mol:	309.053175
ΔH_f, kcal/mol:	75.2
Dipole, Da:	1.43
IP(EA), eV:	-9.2(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-5H-pyrimidin-5-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N=C(N=N1)SCC2=C(OC(=N2)C3=CC=CC=C3)CS[C@H]4C(=O)N=C(N=N4)C

DOS

IR

Vibrations