Geometry & MOs

Info

ID:	174544
PubChem CID:	75781824
Reduced:	SCl2O2N3C25H25 (1)
Stoich.:	AB2C2D3E25F25 (1)
Weight, g/mol:	471.161663
ΔH_f, kcal/mol:	9.17
Dipole, Da:	3.14
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(SC4=C3CCCC4)NC(=O)C5C(C5(C)C)C=C(Cl)Cl

DOS

IR

Vibrations