Geometry & MOs

Info

ID:	57327
PubChem CID:	22395665
Reduced:	PC6O8H11 (1)
Stoich.:	AB6C8D11 (1)
Weight, g/mol:	189.08235
ΔH_f, kcal/mol:	-386.74
Dipole, Da:	2.1
IP(EA), eV:	-10.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbut-2-enylamino)-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1C(C(C(C(O1)C(=O)P(=O)(O)O)O)O)O

DOS

IR

Vibrations