Geometry & MOs

Info

ID:	68689
PubChem CID:	46508903
Reduced:	N3O3C28H35 (1)
Stoich.:	A3B3C28D35 (1)
Weight, g/mol:	416.053231
ΔH_f, kcal/mol:	-85.65
Dipole, Da:	4.8
IP(EA), eV:	-7.89(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(=O)OCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations