Geometry & MOs

Info

ID:	198996
PubChem CID:	79186482
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	364.02564
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	6.53
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluorophenyl]methanamine

Drug info:

PubChemData

Smile

CC1(CN(CCO1)S(=O)(=O)C2=CC=C(C=C2)CC#N)C

DOS

IR

Vibrations