Geometry & MOs

Info

ID:	432040
PubChem CID:	135172172
Reduced:	SO2N4C26H34 (1)
Stoich.:	AB2C4D26E34 (1)
Weight, g/mol:	488.293346
ΔH_f, kcal/mol:	-34.47
Dipole, Da:	5.79
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[[3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-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=NC(=NS2)C3=CC=CC=C3

DOS

IR

Vibrations