Geometry & MOs

Info

ID:	319850
PubChem CID:	126657402
Reduced:	SN3O7H19C21 (1)
Stoich.:	AB3C7D19E21 (1)
Weight, g/mol:	419.0416
ΔH_f, kcal/mol:	-131.41
Dipole, Da:	12.27
IP(EA), eV:	-9.15(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-2-[(Z)-1-morpholin-4-ylhex-3-enyl]sulfanylphenol

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)NC(=C2)C3=CC=CC=C3OC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)O

DOS

IR

Vibrations