Geometry & MOs

Info

ID:	432039
PubChem CID:	135172171
Reduced:	ClSO2N4C20H27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	466.240248
ΔH_f, kcal/mol:	-30.86
Dipole, Da:	8.43
IP(EA), eV:	-8.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[(3-phenyl-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@@H]2C[C@@H]2C(=O)O)NC3=NC(=NS3)Cl

DOS

IR

Vibrations