Geometry & MOs

Info

ID:	402027
PubChem CID:	135053916
Reduced:	O4C19H22 (1)
Stoich.:	A4B19C22 (1)
Weight, g/mol:	401.126106
ΔH_f, kcal/mol:	-142.37
Dipole, Da:	2.38
IP(EA), eV:	-9.56(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-3-(benzenesulfonyl)-N-benzyl-3,3-difluoro-1-phenylpropan-1-amine

Drug info:

PubChemData

Smile

CC(=O)O[C@@]1(CCCC=C1)[C@@H](/C=C/C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations