Geometry & MOs

Info

ID:	431900
PubChem CID:	135172021
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	419.224263
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	3.14
IP(EA), eV:	-8.43(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[[2-(hydroxymethyl)-1,3-thiazol-5-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C(C)C

DOS

IR

Vibrations