Geometry & MOs

Info

ID:	356248
PubChem CID:	127291321
Reduced:	O2S2N4C17H26 (1)
Stoich.:	A2B2C4D17E26 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-54.53
Dipole, Da:	6.85
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropanoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations