Geometry & MOs

Info

ID:	431998
PubChem CID:	135172126
Reduced:	N3O4C25H41 (1)
Stoich.:	A3B4C25D41 (1)
Weight, g/mol:	487.222881
ΔH_f, kcal/mol:	-218.08
Dipole, Da:	1.94
IP(EA), eV:	-8.26(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)OC(C)(C)C)C2=C(C=C(C=C2)C(C)CC(=O)OC)N

DOS

IR

Vibrations