Geometry & MOs

Info

ID:	160164
PubChem CID:	57304884
Reduced:	PO3N4C7H9 (1)
Stoich.:	AB3C4D7E9 (1)
Weight, g/mol:	359.006819
ΔH_f, kcal/mol:	-126.8
Dipole, Da:	9.74
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-(3-ethoxy-3-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1NP(=O)(N)N)O)C#N)O

DOS

IR

Vibrations