Geometry & MOs

Info

ID:	160472
PubChem CID:	57309820
Reduced:	NSO2C4H5 (2)
Stoich.:	ABC2D4E5 (2)
Weight, g/mol:	645.361682
ΔH_f, kcal/mol:	-78.92
Dipole, Da:	7.37
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-ditert-butyl-4-dodecoxyphenyl) [3-(2H-1,3-thiazol-3-ylmethyl)phenyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=NO)S(=O)(=O)C1=CSC=C1

DOS

IR

Vibrations