Geometry & MOs

Info

ID:	349683
PubChem CID:	127275835
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	355.192963
ΔH_f, kcal/mol:	-42.47
Dipole, Da:	3.78
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CSCN1C(=O)C2=CC3=C(N2)C=CC4=CC=CC=C43

DOS

IR

Vibrations