Geometry & MOs

Info

ID:	431937
PubChem CID:	135172064
Reduced:	SO2N4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	493.276299
ΔH_f, kcal/mol:	-64.15
Dipole, Da:	8.54
IP(EA), eV:	-8.61(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC2=C(C=CC(=C2)[C@H](C)CC(=O)O)N(CC(C)C)CC(C)C

DOS

IR

Vibrations