Geometry & MOs

Info

ID:	198997
PubChem CID:	79186909
Reduced:	BrFSN2O2C13H18 (1)
Stoich.:	ABCD2E2F13G18 (1)
Weight, g/mol:	316.12792
ΔH_f, kcal/mol:	-115.05
Dipole, Da:	4.82
IP(EA), eV:	-9.59(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1CN(CC1C)S(=O)(=O)C2=CC(=CC(=C2F)CN)Br

DOS

IR

Vibrations