Geometry & MOs

Info

ID:	414007
PubChem CID:	135086960
Reduced:	SO2N4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	276.01087
ΔH_f, kcal/mol:	42.72
Dipole, Da:	3.08
IP(EA), eV:	-8.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dichlorophenyl)-3-phenylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=[N+]=[N-])C3=CC=CC=C3N2C

DOS

IR

Vibrations