Geometry & MOs

Info

ID:	350388
PubChem CID:	127277728
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-139.86
Dipole, Da:	3.08
IP(EA), eV:	-8.97(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC(C)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations