Geometry & MOs

Info

ID:	369960
PubChem CID:	127336951
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	330.161329
ΔH_f, kcal/mol:	-120.8
Dipole, Da:	7.42
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[2-hydroxy-2-(oxan-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NCC(C3CCOCC3)O

DOS

IR

Vibrations