Geometry & MOs

Info

ID:	46534
PubChem CID:	10525054
Reduced:	ClION4H10C13 (1)
Stoich.:	ABCD4E10F13 (1)
Weight, g/mol:	399.93162
ΔH_f, kcal/mol:	78.86
Dipole, Da:	7.56
IP(EA), eV:	-9.33(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-2,2-dichloro-1-iodocyclopropyl)sulfanylbenzene

Drug info:

PubChemData

Smile

CN1C2=C(C(=NC(=N2)I)Cl)N=C1C3=CC(=CC=C3)OC

DOS

IR

Vibrations