Geometry & MOs

Info

ID:	369238
PubChem CID:	127331555
Reduced:	ClN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	356.213364
ΔH_f, kcal/mol:	-87.94
Dipole, Da:	5.09
IP(EA), eV:	-9.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[(2-tert-butyloxan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations