Geometry & MOs

Info

ID:	81725
PubChem CID:	49855056
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	261.090212
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	8.21
IP(EA), eV:	-9.47(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-hydroxy-1H-indol-3-yl)-3-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)NC[C@@H](C(=O)NO)N4CCC4

DOS

IR

Vibrations