Geometry & MOs

Info

ID:	426705
PubChem CID:	135153478
Reduced:	OSN3H5F6C11 (1)
Stoich.:	ABC3D5E6F11 (1)
Weight, g/mol:	460.224119
ΔH_f, kcal/mol:	-258.27
Dipole, Da:	4.58
IP(EA), eV:	-9.87(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(5-chloropyrazin-2-yl)amino]-4-[(4-hydroxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)NC(=O)C2=C(N=NS2)C(F)F)F)C(F)(F)F

DOS

IR

Vibrations