Geometry & MOs

Info

ID:	349142
PubChem CID:	127274868
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-96.96
Dipole, Da:	3.73
IP(EA), eV:	-8.79(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzoxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CSCN1C(=O)CCN2C(=O)CSC3=CC=CC=C32

DOS

IR

Vibrations