Geometry & MOs

Info

ID:	359495
PubChem CID:	127298769
Reduced:	SO2N3C18H31 (1)
Stoich.:	AB2C3D18E31 (1)
Weight, g/mol:	392.107375
ΔH_f, kcal/mol:	-118.45
Dipole, Da:	2.83
IP(EA), eV:	-8.88(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations