Geometry & MOs

Info

ID:	301788
PubChem CID:	123095528
Reduced:	SN4O4C18H18 (1)
Stoich.:	AB4C4D18E18 (1)
Weight, g/mol:	554.139069
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	6.65
IP(EA), eV:	-9.2(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[4-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(O1)CSC2=NN=C(N2N/C=C/3\C=CC=CC3=O)C

DOS

IR

Vibrations