Geometry & MOs

Info

ID:	349694
PubChem CID:	127275846
Reduced:	O2S2N3C15H21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	360.154135
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	6.88
IP(EA), eV:	-8.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-[2-(oxan-2-ylmethylsulfanyl)acetyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CSCN1C(=O)C2=CSC(=N2)C3CC3

DOS

IR

Vibrations