Geometry & MOs

Info

ID:	140233
PubChem CID:	52666934
Reduced:	BrClFON3C17H19 (1)
Stoich.:	ABCDE3F17G19 (1)
Weight, g/mol:	378.174356
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.023625
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(1R)-1-phenylethyl]urea

Drug info:

PubChemData

Smile

C[NH+](C)[C@H](CNC(=O)NC1=C(C=C(C=C1)Br)Cl)C2=CC=C(C=C2)F

DOS

IR

Vibrations