Geometry & MOs

Info

ID:	435218
PubChem CID:	135184876
Reduced:	N2F3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	484.203193
ΔH_f, kcal/mol:	-330.98
Dipole, Da:	5.21
IP(EA), eV:	-8.85(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbothioyl)-[(1R,2S)-1-cyclopentyl-1-phenylpropan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CN2C=C(C3=C2C(=CCC3CC(F)(F)F)CN1)C(=O)OC

DOS

IR

Vibrations