Geometry & MOs

Info

ID:	57841
PubChem CID:	24277675
Reduced:	ClOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	4.64
IP(EA), eV:	-8.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[chromeno[4,3-d][1,3]thiazole-4,1'-cyclohexane]-2-amine

Drug info:

PubChemData

Smile

C1CCC2(C1)C3=C(C4=C(O2)C=CC(=C4)Cl)N=C(S3)N

DOS

IR

Vibrations