Geometry & MOs

Info

ID:	390360
PubChem CID:	134998697
Reduced:	NSO3C14H29 (1)
Stoich.:	ABC3D14E29 (1)
Weight, g/mol:	566.15689
ΔH_f, kcal/mol:	-159.85
Dipole, Da:	5.35
IP(EA), eV:	-10.1(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(4-bromophenyl)-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-tritylaziridin-2-yl]methanol

Drug info:

PubChemData

Smile

CCCCCC1[C@H](N1S(=O)(=O)C(C)(C)C)C(CC)O

DOS

IR

Vibrations