Geometry & MOs

Info

ID:	298482
PubChem CID:	117650140
Reduced:	FSO5H7C8 (1)
Stoich.:	ABC5D7E8 (1)
Weight, g/mol:	519.182792
ΔH_f, kcal/mol:	-225.63
Dipole, Da:	3.03
IP(EA), eV:	-11.16(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1'-(2-aminoethynyl)-7'-(hydroxymethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

COS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

DOS

IR

Vibrations