Geometry & MOs

Info

ID:	50548
PubChem CID:	12013095
Reduced:	SN3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	363.153597
ΔH_f, kcal/mol:	45.65
Dipole, Da:	4.21
IP(EA), eV:	-9.17(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-1-thia-3,4-diazaspiro[4.11]hexadec-3-en-2-imine

Drug info:

PubChemData

Smile

C1CCCCCC2(CCCCC1)N=NC(=NC3=CC=CC=C3)S2

DOS

IR

Vibrations