Geometry & MOs

Info

ID:	50230
PubChem CID:	12012743
Reduced:	BrN3O6H16C21 (1)
Stoich.:	AB3C6D16E21 (1)
Weight, g/mol:	394.098728
ΔH_f, kcal/mol:	-154.86
Dipole, Da:	3.84
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3-phenylaziridine

Drug info:

PubChemData

Smile

CC(=O)N1C2=C(C=C(C=C2)Br)C3(C1=O)N(N=C(O3)C4=CC=CC=C4OC(=O)C)C(=O)C

DOS

IR

Vibrations