Geometry & MOs

Info

ID:	205922
PubChem CID:	80178352
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	378.04129
ΔH_f, kcal/mol:	-97.2
Dipole, Da:	5.81
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(3,3-diethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline

Drug info:

PubChemData

Smile

CCC1(CCN(C1)S(=O)(=O)C2=C(C=CC(=C2C)N)C)CC

DOS

IR

Vibrations