Geometry & MOs

Info

ID:	86767
PubChem CID:	49889116
Reduced:	SN2O2H24C25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	383.082744
ΔH_f, kcal/mol:	-28.66
Dipole, Da:	8.84
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=CC(=C2C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)C)C

DOS

IR

Vibrations