Geometry & MOs

Info

ID:	431765
PubChem CID:	135171869
Reduced:	N3O4C27H39 (1)
Stoich.:	A3B4C27D39 (1)
Weight, g/mol:	514.222547
ΔH_f, kcal/mol:	-152.78
Dipole, Da:	3.06
IP(EA), eV:	-8.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=CN=C(C=C3)COC

DOS

IR

Vibrations