Geometry & MOs

Info

ID:	431635
PubChem CID:	135171731
Reduced:	SO2F3N4C21H27 (1)
Stoich.:	AB2C3D4E21F27 (1)
Weight, g/mol:	457.239913
ΔH_f, kcal/mol:	-182.5
Dipole, Da:	6.86
IP(EA), eV:	-9.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)[C@@H]2C[C@@H]2C(=O)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations