Geometry & MOs

Info

ID:	83648
PubChem CID:	49859604
Reduced:	SN5O6C20H23 (1)
Stoich.:	AB5C6D20E23 (1)
Weight, g/mol:	228.03989
ΔH_f, kcal/mol:	-204.31
Dipole, Da:	7.38
IP(EA), eV:	-9.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(C#N)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

DOS

IR

Vibrations