Geometry & MOs

Info

ID:	447319
PubChem CID:	135281993
Reduced:	F3N4O5C25H33 (1)
Stoich.:	A3B4C5D25E33 (1)
Weight, g/mol:	385.12526
ΔH_f, kcal/mol:	-366.26
Dipole, Da:	2.74
IP(EA), eV:	-9.6(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4S)-5-(4-bromo-2-methylphenoxy)-4-methylpentan-2-yl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@](C)(COC1=C(C=C(C=C1)C2=CC(=NC=N2)N(C)C(=O)O)C(F)(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations