Geometry & MOs

Info

ID:	31956
PubChem CID:	3725302
Reduced:	NPO4C22H40 (1)
Stoich.:	ABC4D22E40 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-269.16
Dipole, Da:	4.79
IP(EA), eV:	-8.44(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(2-adamantylidene)hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNP(=O)(OC)OC)C(C)(C)CC

DOS

IR

Vibrations