Geometry & MOs

Info

ID:	157682
PubChem CID:	56436457
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	412.097204
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	3.39
IP(EA), eV:	-9.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations