Geometry & MOs

Info

ID:	356415
PubChem CID:	127291488
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	316.145678
ΔH_f, kcal/mol:	-91.21
Dipole, Da:	5.29
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)N2CCN(CC2)C3=NC=CC(=N3)OC

DOS

IR

Vibrations