Geometry & MOs

Info

ID:	36489
PubChem CID:	8007513
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	397.100423
ΔH_f, kcal/mol:	-31.66
Dipole, Da:	4.86
IP(EA), eV:	-8.69(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=NC2=CC=CC=C2N1)NC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations