Geometry & MOs

Info

ID:	26374
PubChem CID:	645505
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-47.24
Dipole, Da:	7.48
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxo-N-phenylbutanamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1S(=O)(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations