Geometry & MOs

Info

ID:	449313
PubChem CID:	135297559
Reduced:	NSO4C7H15 (1)
Stoich.:	ABC4D7E15 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-163.28
Dipole, Da:	5.24
IP(EA), eV:	-9.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)NC1(COC1)CO

DOS

IR

Vibrations