Geometry & MOs

Info

ID:	303827
PubChem CID:	124490224
Reduced:	NO4C10H21 (1)
Stoich.:	AB4C10D21 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-201.43
Dipole, Da:	5.21
IP(EA), eV:	-9.28(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R,3S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenylhex-5-enoic acid

Drug info:

PubChemData

Smile

CCCCN1C[C@@H]([C@@H]([C@H]([C@H]1CO)O)O)O

DOS

IR

Vibrations