Geometry & MOs

Info

ID:	49395
PubChem CID:	11532965
Reduced:	NSF2O6C22H29 (1)
Stoich.:	ABC2D6E22F29 (1)
Weight, g/mol:	473.217538
ΔH_f, kcal/mol:	-347.58
Dipole, Da:	2.2
IP(EA), eV:	-8.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pyridin-4-yl]methylamino]-N-(2-methylindazol-6-yl)benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)O[C@@]1([C@@]2([C@@H]([C@H]([C@](C1(F)F)(O2)C)SC3=CC=CC=C3)O)C)C(=O)OCC

DOS

IR

Vibrations