Geometry & MOs

Info

ID:	86171
PubChem CID:	49882283
Reduced:	SN4O4H24C25 (1)
Stoich.:	AB4C4D24E25 (1)
Weight, g/mol:	441.135842
ΔH_f, kcal/mol:	-29.39
Dipole, Da:	4.76
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC(C)C(=O)NCC5=CC=CO5

DOS

IR

Vibrations