Geometry & MOs

Info

ID:	217992
PubChem CID:	85088705
Reduced:	O3C12H17 (2)
Stoich.:	A3B12C17 (2)
Weight, g/mol:	418.092204
ΔH_f, kcal/mol:	-251.61
Dipole, Da:	6.71
IP(EA), eV:	-9.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-8-(2-phenylethenyl)-4-(1,3-thiazol-2-yl)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one

Drug info:

PubChemData

Smile

CC1CCC(OC1C2C(CCC(O2)C3C(C(=O)C=CO3)C)C)C4C(C(=O)C=CO4)C

DOS

IR

Vibrations