Geometry & MOs

Info

ID:	432133
PubChem CID:	135172265
Reduced:	SO3N4C22H34 (1)
Stoich.:	AB3C4D22E34 (1)
Weight, g/mol:	433.239913
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	4.22
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NN=C(S2)COC

DOS

IR

Vibrations