Geometry & MOs

Info

ID:	68719
PubChem CID:	46508975
Reduced:	N2S2O4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	471.172896
ΔH_f, kcal/mol:	-97.14
Dipole, Da:	4.24
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C(C(C)C)NC(=O)C3=CC=CS3

DOS

IR

Vibrations