Geometry & MOs

Info

ID:	443500
PubChem CID:	135259202
Reduced:	SO2N5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	350.154289
ΔH_f, kcal/mol:	-18.24
Dipole, Da:	1.53
IP(EA), eV:	-8.58(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N/C(=C/C(=C\3/C(=O)NC4(N3C)CCCCC4)/C)/C=O)C

DOS

IR

Vibrations