Geometry & MOs

Info

ID:	447313
PubChem CID:	135281956
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	347.05323
ΔH_f, kcal/mol:	-95.52
Dipole, Da:	5.27
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=NC=N2)N(C)C(=O)O)OC[C@](C)(CC(C)C)N

DOS

IR

Vibrations