Geometry & MOs

Info

ID:	391022
PubChem CID:	135002286
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	293.018036
ΔH_f, kcal/mol:	-98.77
Dipole, Da:	3.65
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetate

Drug info:

PubChemData

Smile

CC(C)(C)N=C1C2=CC3=C(C=C2C=C1C(=O)OC)OCO3

DOS

IR

Vibrations