Geometry & MOs

Info

ID:	368373
PubChem CID:	127328261
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	3.56
IP(EA), eV:	-9.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylbutanoyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

DOS

IR

Vibrations