Geometry & MOs

Info

ID:	431755
PubChem CID:	135171859
Reduced:	NO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	553.233446
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	1.98
IP(EA), eV:	-9.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)C(=O)C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations