Geometry & MOs

Info

ID:	301837
PubChem CID:	123097261
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	559.21007
ΔH_f, kcal/mol:	-50.18
Dipole, Da:	6.89
IP(EA), eV:	-8.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[[5-butyl-4-[(Z)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)OC)SCC3=CC=C(O3)C(=O)OC(C)C

DOS

IR

Vibrations