Geometry & MOs

Info

ID:	375822
PubChem CID:	134221813
Reduced:	NOS2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	520.166808
ΔH_f, kcal/mol:	69.35
Dipole, Da:	1.68
IP(EA), eV:	-6.42(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (5S)-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

COC1=CC=C(C=C1)N(S(C)(C)C=C)S(C)(C)C=C

DOS

IR

Vibrations