Geometry & MOs

Info

ID:	445025
PubChem CID:	135264282
Reduced:	NSO3C25H29 (1)
Stoich.:	ABC3D25E29 (1)
Weight, g/mol:	586.261377
ΔH_f, kcal/mol:	-85.08
Dipole, Da:	5.29
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-2-[(5-propan-2-yl-1,3-thiazole-2-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)CCC(=O)O

DOS

IR

Vibrations