Geometry & MOs

Info

ID:	350498
PubChem CID:	127277860
Reduced:	SN3O3C18H31 (1)
Stoich.:	AB3C3D18E31 (1)
Weight, g/mol:	327.198048
ΔH_f, kcal/mol:	-145.63
Dipole, Da:	5.08
IP(EA), eV:	-8.84(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclohexyl(methyl)amino]ethyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCCC2CN3CC(OC(C3)C)C

DOS

IR

Vibrations