Geometry & MOs

Info

ID:	30380
PubChem CID:	841230
Reduced:	SO2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	40.01
Dipole, Da:	7.07
IP(EA), eV:	-8.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5S)-3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=NN2)C=NNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations