Geometry & MOs

Info

ID:	59476
PubChem CID:	24875026
Reduced:	F3N4O4C28H31 (1)
Stoich.:	A3B4C4D28E31 (1)
Weight, g/mol:	492.219512
ΔH_f, kcal/mol:	-266.54
Dipole, Da:	7.63
IP(EA), eV:	-8.79(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylcyclohexanecarbonyl)amino]-3-[4-[5-[[(4-methylpyridin-2-yl)amino]methyl]-1,3-thiazol-2-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=C(C=CC(=C2)CCN3CCOCC3)NC(=O)C4=NC5=CC=CC=C5N4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations