Geometry & MOs

Info

ID:	431932
PubChem CID:	135172059
Reduced:	N2O5C19H30 (1)
Stoich.:	A2B5C19D30 (1)
Weight, g/mol:	493.276299
ΔH_f, kcal/mol:	-151.65
Dipole, Da:	3.63
IP(EA), eV:	-8.62(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4R)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)OC)C1=C(C=C(C=C1)C(C)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations