Geometry & MOs

Info

ID:	263023
PubChem CID:	103334264
Reduced:	S2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	269.094646
ΔH_f, kcal/mol:	62.21
Dipole, Da:	1.75
IP(EA), eV:	-8.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propane-1,3-diol

Drug info:

PubChemData

Smile

CCNC1=NC2=C(C=C(S2)C)C(=N1)SCC3=CC=CC=C3

DOS

IR

Vibrations