Geometry & MOs

Info

ID:	447688
PubChem CID:	135284799
Reduced:	F2N4O5C31H40 (1)
Stoich.:	A2B4C5D31E40 (1)
Weight, g/mol:	403.11583
ΔH_f, kcal/mol:	-313.57
Dipole, Da:	6.16
IP(EA), eV:	-8.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1[C@H](C(C2=CC=CC=C21)(C)C)C(=O)NC3=C(C=CC=C3F)F)NC(=O)C(C)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations