Geometry & MOs

Info

ID:	81914
PubChem CID:	49855346
Reduced:	BrN2S3O7C32H39 (1)
Stoich.:	AB2C3D7E32F39 (1)
Weight, g/mol:	339.118829
ΔH_f, kcal/mol:	-239.5
Dipole, Da:	5.71
IP(EA), eV:	-9.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CCCCCCCCCBr)N2C(=O)C3=CC=CC=C3S2(=O)=O)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations