Geometry & MOs

Info

ID:	159852
PubChem CID:	57288819
Reduced:	F2O3N4C27H32 (1)
Stoich.:	A2B3C4D27E32 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-182.34
Dipole, Da:	5.37
IP(EA), eV:	-9.68(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methylpropyl)hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC[C@H](C[C@@H]([C@H](CC1=CC=C(C=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)NC)F

DOS

IR

Vibrations