Geometry & MOs

Info

ID:	234859
PubChem CID:	92303615
Reduced:	S2N3O3C17H29 (1)
Stoich.:	A2B3C3D17E29 (1)
Weight, g/mol:	418.135114
ΔH_f, kcal/mol:	-136.17
Dipole, Da:	6.46
IP(EA), eV:	-8.59(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[3-[(2S)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)OCC)SC1=NN=C(S1)NC(=O)C[C@H](C)CC(C)(C)C

DOS

IR

Vibrations