Geometry & MOs

Info

ID:	403092
PubChem CID:	135058712
Reduced:	FSCl2O2N3H14C20 (1)
Stoich.:	ABC2D2E3F14G20 (1)
Weight, g/mol:	483.047812
ΔH_f, kcal/mol:	-22.74
Dipole, Da:	6.12
IP(EA), eV:	-9.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-9-phenyl-1,6-dithia-4,9-diazaspiro[4.4]nonane-3,8-dione

Drug info:

PubChemData

Smile

C1CN2C(=NOC23N(C1)C(=O)/C(=C/C4=CC=C(C=C4)F)/S3)C5=C(C=CC=C5Cl)Cl

DOS

IR

Vibrations