Geometry & MOs

Info

ID:	146219
PubChem CID:	53652996
Reduced:	SO5H14C21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	306.115698
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	7.53
IP(EA), eV:	-9.12(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenanthren-9-yl-2-pyridin-4-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)S(=O)(=O)C23C4=C(C=C(C=C4)O)C5=C3C=CC(=C5)O

DOS

IR

Vibrations