Geometry & MOs

Info

ID:	380678
PubChem CID:	134971198
Reduced:	P2O3H36C49 (1)
Stoich.:	A2B3C36D49 (1)
Weight, g/mol:	191.115758
ΔH_f, kcal/mol:	67.99
Dipole, Da:	3.42
IP(EA), eV:	-7.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R)-3-amino-5,6-dihydroxy-2,4-dimethylhexanoic acid

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C=CC3=C2C4=C5C=CC=CC5=CC[C@@H]4OP(O3)OC6=CC=CC=C6C7=CC8(C=C(P7C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations