Geometry & MOs

Info

ID:	57839
PubChem CID:	24277663
Reduced:	SN2O3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	2.02
IP(EA), eV:	-8.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylspiro[chromeno[4,3-d][1,3]thiazole-4,1'-cyclopentane]-2-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(O1)C4=C(C=C3)OCCO4)N=C(S2)N)C

DOS

IR

Vibrations