Geometry & MOs

Info

ID:	350497
PubChem CID:	127277859
Reduced:	S2N3O4C13H23 (1)
Stoich.:	A2B3C4D13E23 (1)
Weight, g/mol:	369.208613
ΔH_f, kcal/mol:	-187.38
Dipole, Da:	4.04
IP(EA), eV:	-9.21(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations