Geometry & MOs

Info

ID:	387469
PubChem CID:	134985493
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	3.45
IP(EA), eV:	-8.76(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N,N-dimethyl-2-(3-methylbut-2-en-2-yl)-3-phenylaziridine-1-sulfonamide

Drug info:

PubChemData

Smile

CC(C)N1C[C@H]([C@H]1C(C)(C)Cl)OCC2=CC=CC=C2

DOS

IR

Vibrations