Geometry & MOs

Info

ID:	50231
PubChem CID:	12012744
Reduced:	SN2O4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	375.1293
ΔH_f, kcal/mol:	13.03
Dipole, Da:	10.43
IP(EA), eV:	-10.0(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-2-phenyl-3-[(E)-2-phenylethenyl]aziridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H]2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations