Geometry & MOs

Info

ID:	312562
PubChem CID:	126606525
Reduced:	ClF3O3N6C26H26 (1)
Stoich.:	AB3C3D6E26F26 (1)
Weight, g/mol:	275.130363
ΔH_f, kcal/mol:	-188.96
Dipole, Da:	1.81
IP(EA), eV:	-9.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-4-hydroxy-6-[(3-hydroxyazetidin-1-yl)methyl]oxan-2-yl] N'-methylcarbamimidothioate

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OC(F)(F)F)C(=C[C@H]2NC(=O)NCCN4CCOCC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations