Geometry & MOs

Info

ID:	81446
PubChem CID:	49854735
Reduced:	SN4O6C23H26 (1)
Stoich.:	AB4C6D23E26 (1)
Weight, g/mol:	246.090546
ΔH_f, kcal/mol:	-125.37
Dipole, Da:	8.74
IP(EA), eV:	-9.21(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-indol-3-ylidene-2-(pyridin-3-ylamino)acetonitrile

Drug info:

PubChemData

Smile

C1COCCN1[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC4=CC=CC=C34)C(=O)NO

DOS

IR

Vibrations