Geometry & MOs

Info

ID:	159119
PubChem CID:	57260457
Reduced:	ION5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	438.124943
ΔH_f, kcal/mol:	124.84
Dipole, Da:	3.61
IP(EA), eV:	-9.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)I)C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4)OC

DOS

IR

Vibrations