Geometry & MOs

Info

ID:	376539
PubChem CID:	134222557
Reduced:	SCl2O5C8H10 (1)
Stoich.:	AB2C5D8E10 (1)
Weight, g/mol:	494.219015
ΔH_f, kcal/mol:	-230.11
Dipole, Da:	5.31
IP(EA), eV:	-11.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[(3-azabicyclo[3.1.0]hexan-1-ylamino)-hydroxymethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(C(C1)S(=O)(=O)O)C(=O)Cl)C(=O)Cl

DOS

IR

Vibrations