Geometry & MOs

Info

ID:	50551
PubChem CID:	12013098
Reduced:	SN3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	343.208219
ΔH_f, kcal/mol:	65.17
Dipole, Da:	4.31
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCCCC2(CCCCC1)N=NC(=NC3=CC4=CC=CC=C4C=C3)S2

DOS

IR

Vibrations