Geometry & MOs

Info

ID:	351175
PubChem CID:	127279733
Reduced:	OSN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	393.06394
ΔH_f, kcal/mol:	16.05
Dipole, Da:	4.66
IP(EA), eV:	-8.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethyl]sulfanylbenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NSC(=N1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations