Geometry & MOs

Info

ID:	195342
PubChem CID:	78675730
Reduced:	OS2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	391.102434
ΔH_f, kcal/mol:	38.26
Dipole, Da:	13.02
IP(EA), eV:	-8.24(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=NN=C(S2)SCC)C

DOS

IR

Vibrations