Geometry & MOs

Info

ID:	390359
PubChem CID:	134998673
Reduced:	N4O11C26H28 (1)
Stoich.:	A4B11C26D28 (1)
Weight, g/mol:	291.186815
ΔH_f, kcal/mol:	-232.86
Dipole, Da:	7.4
IP(EA), eV:	-10.04(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-tert-butylsulfonyl-3-pentylaziridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@@H](O2)N4C(N(C(=O)O4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-])OC(O3)(C)C)C

DOS

IR

Vibrations