Geometry & MOs

Info

ID:	66045
PubChem CID:	46488312
Reduced:	SO2N3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	21.82
Dipole, Da:	3.94
IP(EA), eV:	-9.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=CC(=C3)C#N

DOS

IR

Vibrations