Geometry & MOs

Info

ID:	301811
PubChem CID:	123096749
Reduced:	SN4O4C28H30 (1)
Stoich.:	AB4C4D28E30 (1)
Weight, g/mol:	512.209341
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	6.38
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC=C(C=C2)OCCCC3=CC=CC=C3)SCC4=CC=C(O4)C(=O)OC(C)C

DOS

IR

Vibrations