Geometry & MOs

Info

ID:	427755
PubChem CID:	135162076
Reduced:	O2F3N5C22H28 (1)
Stoich.:	A2B3C5D22E28 (1)
Weight, g/mol:	364.02787
ΔH_f, kcal/mol:	-203.35
Dipole, Da:	10.23
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2,2-dimethylpyrrolidin-1-yl)oxysulfanyl-N-methylaniline;sulfane

Drug info:

PubChemData

Smile

CC(C)NC(C1=CC=C(C=C1)N/C(=C\2/C(=CC=NC2=O)NC3CCCOC3)/N)C(F)(F)F

DOS

IR

Vibrations