Geometry & MOs

Info

ID:	302066
PubChem CID:	124349152
Reduced:	SO7H22C25 (1)
Stoich.:	AB7C22D25 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-209.56
Dipole, Da:	7.89
IP(EA), eV:	-9.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethyl]-3-phenylurea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations