Geometry & MOs

Info

ID:	343252
PubChem CID:	127266425
Reduced:	ClN2O4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	522.221835
ΔH_f, kcal/mol:	-182.98
Dipole, Da:	8.27
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethoxy-3-methyl-1-phenylpyrazol-4-yl)-morpholin-4-yl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane

Drug info:

PubChemData

Smile

CC1CN(CC2(O1)CCCOC2)C3=CC=CC(=N3)C(=O)O.Cl

DOS

IR

Vibrations