Geometry & MOs

Info

ID:	135767
PubChem CID:	51932255
Reduced:	ClO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	424.090192
ΔH_f, kcal/mol:	-6.61
Dipole, Da:	3.23
IP(EA), eV:	-8.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[5-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanimidate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NCC3=CN4C=C(C=CC4=N3)Cl

DOS

IR

Vibrations