Geometry & MOs

Info

ID:	49412
PubChem CID:	11532989
Reduced:	OSN6C26H30 (1)
Stoich.:	ABC6D26E30 (1)
Weight, g/mol:	474.255229
ΔH_f, kcal/mol:	34.35
Dipole, Da:	3.11
IP(EA), eV:	-8.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[[methyl(nonanoyl)amino]methyl]-1,3-thiazol-2-yl]-3-propoxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)C3=C(N=C2N4CCOCC4)SC5=C3N=CN=C5NCCC6=CC=CC=N6)C

DOS

IR

Vibrations