Geometry & MOs

Info

ID:	131418
PubChem CID:	51201733
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	374.075885
ΔH_f, kcal/mol:	1.17
Dipole, Da:	4.26
IP(EA), eV:	-9.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylthiophen-3-yl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C3=C(C4=CC=CC=C4O3)COC

DOS

IR

Vibrations