Geometry & MOs

Info

ID:	338586
PubChem CID:	127259597
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	5.76
IP(EA), eV:	-9.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-2-[(Z)-pent-3-enyl]aziridine

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CCC

DOS

IR

Vibrations