Geometry & MOs

Info

ID:	127143
PubChem CID:	50992428
Reduced:	N5O5C26H31 (1)
Stoich.:	A5B5C26D31 (1)
Weight, g/mol:	311.99698
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	10.99
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-amino-5-(furan-2-yl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=C(C=CC(=C3)OC)OCC4CC4)C(=O)NC5CCN(C[C@H]5O)C(=O)C

DOS

IR

Vibrations