Geometry & MOs

Info

ID:	338587
PubChem CID:	127259598
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	467.07461
ΔH_f, kcal/mol:	-36.31
Dipole, Da:	4.78
IP(EA), eV:	-9.61(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(Z)-2-iodo-1,2-diphenylethenyl]phenoxy]ethyl]aziridine

Drug info:

PubChemData

Smile

C/C=C\CCC1CN1S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations