Geometry & MOs

Info

ID:	190519
PubChem CID:	78015383
Reduced:	SF2N2O2C9H14 (1)
Stoich.:	AB2C2D2E9F14 (1)
Weight, g/mol:	469.139545
ΔH_f, kcal/mol:	-181.36
Dipole, Da:	3.63
IP(EA), eV:	-9.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-1H-imidazol-5-yl)methylidene]-4-[[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]sulfonyl]-1H-indol-2-one

Drug info:

PubChemData

Smile

CNC1=NC2C(S1)CC(C(C2O)O)C(F)F

DOS

IR

Vibrations