Geometry & MOs

Info

ID:	431963
PubChem CID:	135172091
Reduced:	ClO3N5C23H34 (1)
Stoich.:	AB3C5D23E34 (1)
Weight, g/mol:	417.244999
ΔH_f, kcal/mol:	-92.34
Dipole, Da:	5.4
IP(EA), eV:	-8.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)OC)NC3=NNC(=N3)Cl

DOS

IR

Vibrations