Geometry & MOs

Info

ID:	301269
PubChem CID:	123071389
Reduced:	ClFSO2N4H18C19 (1)
Stoich.:	ABCD2E4F18G19 (1)
Weight, g/mol:	513.220989
ΔH_f, kcal/mol:	3.78
Dipole, Da:	1.97
IP(EA), eV:	-8.97(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-4-[(Z)-[3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]phenoxy]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N/C=C/2\C=C(C(=O)C(=C2)Cl)OC)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations