Geometry & MOs

Info

ID:	431999
PubChem CID:	135172127
Reduced:	SO2F3N5C22H32 (1)
Stoich.:	AB2C3D5E22F32 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-205.39
Dipole, Da:	8.27
IP(EA), eV:	-9.03(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(5-cyano-1H-imidazol-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CCCCCN)CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations