Geometry & MOs

Info

ID:	227477
PubChem CID:	87561825
Reduced:	NP2S2C28H29 (1)
Stoich.:	AB2C2D28E29 (1)
Weight, g/mol:	469.175004
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	10.61
IP(EA), eV:	-8.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-[(3Z)-3-[4-(1-methylindol-5-yl)-5-oxo-1,2,4-triazolidin-3-ylidene]-4-oxocyclohexa-1,5-dien-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)P(=S)(C2=CC=C(C=C2)C)NP(=S)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations