Geometry & MOs

Info

ID:	387311
PubChem CID:	134984866
Reduced:	BrNOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-2.2
Dipole, Da:	1.34
IP(EA), eV:	-8.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[(E)-but-2-en-2-yl]-N,N-dimethyl-3-phenylaziridine-1-sulfonamide

Drug info:

PubChemData

Smile

CC1(C(=O)CN1C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations