Geometry & MOs

Info

ID:	139778
PubChem CID:	52594300
Reduced:	BrClO2N3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-30.23
Dipole, Da:	4.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003787
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-(3-methylphenoxy)phenyl]urea

Drug info:

PubChemData

Smile

C1CC[NH+](C1)[C@@H](CNC(=O)NC2=C(C=C(C=C2)Br)Cl)C3=CC=CO3

DOS

IR

Vibrations