Geometry & MOs

Info

ID:	401702
PubChem CID:	135052169
Reduced:	SO3C20H22 (1)
Stoich.:	AB3C20D22 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	1.84
IP(EA), eV:	-9.36(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-N'-(5-oxo-3-phenyl-4-propan-2-yl-1,2-oxazol-4-yl)methanimidamide

Drug info:

PubChemData

Smile

CC(C)(C)C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OS(=O)(=O)C

DOS

IR

Vibrations