Geometry & MOs

Info

ID:	301841
PubChem CID:	123097367
Reduced:	SO3N5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	493.214761
ΔH_f, kcal/mol:	4.66
Dipole, Da:	8.87
IP(EA), eV:	-8.81(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CN(C3=CC=CC=C32)C)SCC4=CC=C(O4)C(=O)OC(C)C

DOS

IR

Vibrations