Geometry & MOs

Info

ID:	297099
PubChem CID:	117608824
Reduced:	ClFSN2O3C16H18 (1)
Stoich.:	ABCD2E3F16G18 (1)
Weight, g/mol:	337.099333
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	6.79
IP(EA), eV:	-9.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenoxy]phenyl]urea

Drug info:

PubChemData

Smile

CC[C@H](C1=C(C(=C(C=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)NC)F)N

DOS

IR

Vibrations