Geometry & MOs

Info

ID:	387033
PubChem CID:	134983746
Reduced:	BrN2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	563.245392
ΔH_f, kcal/mol:	34.25
Dipole, Da:	3.8
IP(EA), eV:	-8.44(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,4S,5E)-4-(1,3-benzodioxol-5-yl)-5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpentan-2-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN([C@@H]1CCCC[C@H]1NC2=CC(=CC=C2)Br)C3=CC=CC=C3

DOS

IR

Vibrations