Geometry & MOs

Info

ID:	217312
PubChem CID:	85087601
Reduced:	NO2C23H29 (1)
Stoich.:	AB2C23D29 (1)
Weight, g/mol:	351.096286
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	1.4
IP(EA), eV:	-8.82(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-(5-methoxy-4-methyl-1,3-oxazol-2-yl)-9-methyl-1,4-dithiaspiro[4.4]non-7-en-9-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

CCCCCCCN1C(=O)C2C(C1=O)C3C(=C(C2C4=CC=CC=C34)C)C

DOS

IR

Vibrations