Geometry & MOs

Info

ID:	233434
PubChem CID:	90944422
Reduced:	BrClO6C19H24 (1)
Stoich.:	ABC6D19E24 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-258.29
Dipole, Da:	3.8
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)aziridin-2-yl]methanol

Drug info:

PubChemData

Smile

C[C@]1([C@H]([C@](C(OC1(C)CO)(C)OC2=CCC3=C2C(=C(C=C3)Br)Cl)(C)O)O)O

DOS

IR

Vibrations