Geometry & MOs

Info

ID:	406228
PubChem CID:	135076977
Reduced:	NSO2C25H25 (1)
Stoich.:	ABC2D25E25 (1)
Weight, g/mol:	181.08457
ΔH_f, kcal/mol:	23.91
Dipole, Da:	5.33
IP(EA), eV:	-8.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;(4S)-2-(1-chloroethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C#CC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations