Geometry & MOs

Info

ID:	306435
PubChem CID:	125011690
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	6.33
IP(EA), eV:	-8.67(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(2-methylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)[C@@H]2CCCN(C2)S(=O)(=O)C3=CNN=C3

DOS

IR

Vibrations