Geometry & MOs

Info

ID:	173026
PubChem CID:	75585963
Reduced:	NS2O8C10H21 (1)
Stoich.:	AB2C8D10E21 (1)
Weight, g/mol:	446.139273
ΔH_f, kcal/mol:	-362.65
Dipole, Da:	6.76
IP(EA), eV:	-10.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-3-methylbutanoyl)amino]-4,4-dimethyl-5-(3-sulfopropylsulfonyloxy)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(C(=O)O)N)COS(=O)(=O)CCCS(=O)(=O)O

DOS

IR

Vibrations