Geometry & MOs

Info

ID:	323517
PubChem CID:	126675154
Reduced:	SN3O4C17H29 (1)
Stoich.:	AB3C4D17E29 (1)
Weight, g/mol:	412.229683
ΔH_f, kcal/mol:	-208.99
Dipole, Da:	4.16
IP(EA), eV:	-9.02(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[6-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]hexyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1[C@H](CC[C@@H](O1)O)N(C)C(=O)CCCCC2C3[C@H](CS2)NC(=O)N3

DOS

IR

Vibrations