Geometry & MOs

Info

ID:	81539
PubChem CID:	49854841
Reduced:	SN4O5C23H28 (1)
Stoich.:	AB4C5D23E28 (1)
Weight, g/mol:	246.090546
ΔH_f, kcal/mol:	-99.91
Dipole, Da:	6.31
IP(EA), eV:	-9.39(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)[C@@H](CNS(=O)(=O)C1=CC=C(C=C1)OCC2=CC=NC3=CC=CC=C23)C(=O)NO

DOS

IR

Vibrations