Geometry & MOs

Info

ID:	177951
PubChem CID:	76257238
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	6.25
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations