Geometry & MOs

Info

ID:	68769
PubChem CID:	46509054
Reduced:	S2N3O3H21C22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	464.097683
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	3.98
IP(EA), eV:	-8.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

DOS

IR

Vibrations