Geometry & MOs

Info

ID:	234720
PubChem CID:	92303374
Reduced:	FON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	340.127051
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	1.97
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)N1CCN2C=CC=C2[C@H]1C3=CC(=CC=C3)F

DOS

IR

Vibrations