Geometry & MOs

Info

ID:	449291
PubChem CID:	135297444
Reduced:	OF2N7H23C25 (1)
Stoich.:	AB2C7D23E25 (1)
Weight, g/mol:	504.200668
ΔH_f, kcal/mol:	49.32
Dipole, Da:	7.43
IP(EA), eV:	-9.34(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S)-2-[4-butan-2-yl-6-(2,6-difluorophenyl)pyridazin-3-yl]butan-2-yl]-N-(2-hydroxyethyl)pyridine-2-sulfonamide

Drug info:

PubChemData

Smile

CC1(C2CC[C@@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=CN=C5)C6=NC=NN6CCO)C

DOS

IR

Vibrations