Geometry & MOs

Info

ID:	431980
PubChem CID:	135172108
Reduced:	O3N4C29H38 (1)
Stoich.:	A3B4C29D38 (1)
Weight, g/mol:	466.18054
ΔH_f, kcal/mol:	-94.25
Dipole, Da:	2.88
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=N[C@H](C(=O)N3)C4=CC=CC=C4

DOS

IR

Vibrations