Geometry & MOs

Info

ID:	227684
PubChem CID:	87562223
Reduced:	NP2S2C12H29 (1)
Stoich.:	AB2C2D12E29 (1)
Weight, g/mol:	421.153875
ΔH_f, kcal/mol:	-169.52
Dipole, Da:	4.11
IP(EA), eV:	-8.74(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide

Drug info:

PubChemData

Smile

CCCP(=S)(CCC)NP(=S)(CCC)CCC

DOS

IR

Vibrations