Geometry & MOs

Info

ID:	205923
PubChem CID:	80178353
Reduced:	BrFSN2O2C14H20 (1)
Stoich.:	ABCD2E2F14G20 (1)
Weight, g/mol:	314.146427
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	2.09
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-diethylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylaniline

Drug info:

PubChemData

Smile

CCC1(CCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)N)F)Br)CC

DOS

IR

Vibrations