Geometry & MOs

Info

ID:	188285
PubChem CID:	77693439
Reduced:	ClSO2N3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-61.95
Dipole, Da:	6.63
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methoxyphenyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2NC(CS2)C(=O)N3CCCC3C#N.Cl

DOS

IR

Vibrations