Geometry & MOs

Info

ID:	172043
PubChem CID:	75458762
Reduced:	N3O5H27C30 (1)
Stoich.:	A3B5C27D30 (1)
Weight, g/mol:	483.161663
ΔH_f, kcal/mol:	-79.77
Dipole, Da:	9.79
IP(EA), eV:	-8.92(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C\2=C3C=CC=CC3=NC(=O)/C2=C/4\CC(N(N4)C(=O)CCC(=O)O)C5=CC=CC=C5OC

DOS

IR

Vibrations