Geometry & MOs

Info

ID:	301840
PubChem CID:	123097366
Reduced:	SO3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	479.199111
ΔH_f, kcal/mol:	22.4
Dipole, Da:	2.58
IP(EA), eV:	-9.31(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1N/C=C/2\C=NC3=CC=CC=C32)SCC4=CC=C(O4)C(=O)OC(C)C

DOS

IR

Vibrations