Geometry & MOs

Info

ID:	42422
PubChem CID:	8149538
Reduced:	SO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-12.45
Dipole, Da:	7.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.856304
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-2-[[5-[(1R)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C1=NN=C(O1)SCC(=O)NC2=CC3=C(CCC3)C=C2)[NH+](C)C

DOS

IR

Vibrations