Geometry & MOs

Info

ID:	49432
PubChem CID:	11533015
Reduced:	FS2N3O3C23H26 (1)
Stoich.:	AB2C3D3E23F26 (1)
Weight, g/mol:	475.294725
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	5.47
IP(EA), eV:	-8.1(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[2-[[(2R)-2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]propyl]phenyl]methyl]-3-(4-phenylbutyl)urea

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC(=C(C=C3)C4=CC=CS4)F

DOS

IR

Vibrations