Geometry & MOs

Info

ID:	225639
PubChem CID:	87219109
Reduced:	SF2N3O4C27H31 (1)
Stoich.:	AB2C3D4E27F31 (1)
Weight, g/mol:	509.234828
ΔH_f, kcal/mol:	-216.96
Dipole, Da:	5.76
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-3,3-dimethyl-N-[(2S)-1-[[5-[2-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]butanamide

Drug info:

PubChemData

Smile

CCOC1=NC(=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)F)CNC(=O)C(CC(C)C)S)CF

DOS

IR

Vibrations