Geometry & MOs

Info

ID:	438380
PubChem CID:	135228116
Reduced:	ClSO3C9H17 (1)
Stoich.:	ABC3D9E17 (1)
Weight, g/mol:	289.188923
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	4.75
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-2-(3-methyl-3-propan-2-yloxybutoxy)propanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(O)OCCCC1(CC1)S(=O)Cl

DOS

IR

Vibrations