Geometry & MOs

Info

ID:	447365
PubChem CID:	135282289
Reduced:	FON3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	381.01426
ΔH_f, kcal/mol:	-53.53
Dipole, Da:	8.22
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1OC[C@](C)(CC(C)C)N)C2=CC(=NC=C2)F

DOS

IR

Vibrations