Geometry & MOs

Info

ID:	308251
PubChem CID:	125324636
Reduced:	FNS2O4C18H26 (1)
Stoich.:	ABC2D4E18F26 (1)
Weight, g/mol:	355.175673
ΔH_f, kcal/mol:	-212.52
Dipole, Da:	3.57
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2H-benzotriazol-5-yl)-1-[(6S)-2-methyl-3-oxo-1,6-dihydropyridazin-6-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)[C@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)C3=CC(=C(C=C3)F)C)C

DOS

IR

Vibrations