Geometry & MOs

Info

ID:	376469
PubChem CID:	134222483
Reduced:	N2O4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	582.152632
ΔH_f, kcal/mol:	-192.31
Dipole, Da:	4.48
IP(EA), eV:	-9.29(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4R)-1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-2-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CC[C@@H]2[C@@H]([C@H]([C@@H](N2C(=O)C1)CO)O)O

DOS

IR

Vibrations