Geometry & MOs

Info

ID:	143304
PubChem CID:	53184199
Reduced:	SF2O2N5C17H19 (1)
Stoich.:	AB2C2D5E17F19 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	5.52
IP(EA), eV:	-7.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethylamino)spiro[4,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1CN2C=CN=C(C2=N1)N3CCN(CC3)S(=O)(=O)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations