Geometry & MOs

Info

ID:	375798
PubChem CID:	134221788
Reduced:	NS2C11H20 (2)
Stoich.:	AB2C11D20 (2)
Weight, g/mol:	520.166808
ΔH_f, kcal/mol:	197.44
Dipole, Da:	2.17
IP(EA), eV:	-5.9(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[[4-[(3Z,5E)-6-methyl-3-(methylideneamino)-2-oxoocta-3,5-dienoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazolidine-5-carboxylate

Drug info:

PubChemData

Smile

CS(C)(C=C)N(C1=CC=C(C=C1)N(S(C)(C)C=C)S(C)(C)C=C)S(C)(C)C=C

DOS

IR

Vibrations