Geometry & MOs

Info

ID:	387365
PubChem CID:	134985095
Reduced:	NSO2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-17.78
Dipole, Da:	5.29
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N,N-dimethyl-2-(2-methylprop-1-enyl)-3-phenylaziridine-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCC[C@@H]2C#CC3=CC=CC=C3

DOS

IR

Vibrations