Geometry & MOs

Info

ID:	36477
PubChem CID:	8007253
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	359.154172
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	6.48
IP(EA), eV:	-7.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[C@H](C3=CC=C(C=C3)Cl)NC(=O)N

DOS

IR

Vibrations