Geometry & MOs

Info

ID:	31654
PubChem CID:	855984
Reduced:	ClON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	251.036462
ΔH_f, kcal/mol:	26.51
Dipole, Da:	5.1
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations