Geometry & MOs

Info

ID:	402436
PubChem CID:	135055951
Reduced:	NSO3C20H29 (1)
Stoich.:	ABC3D20E29 (1)
Weight, g/mol:	309.139865
ΔH_f, kcal/mol:	-124.25
Dipole, Da:	6.06
IP(EA), eV:	-9.19(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4,4-dimethyl-2-(4-methylphenyl)sulfonyl-3-(2-methylprop-1-enyl)-1,2-oxazolidine

Drug info:

PubChemData

Smile

CC1(C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)OC)C=C3CCCCC3)C

DOS

IR

Vibrations