Geometry & MOs

Info

ID:	356391
PubChem CID:	127291464
Reduced:	SN3O4C19H31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	381.208613
ΔH_f, kcal/mol:	-195.26
Dipole, Da:	1.61
IP(EA), eV:	-8.99(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CSCC1C(=O)N2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations