Geometry & MOs

Info

ID:	167967
PubChem CID:	74907153
Reduced:	ClSN3O4H24C26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	2.06
IP(EA), eV:	-8.63(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CN=CC=C3)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations