Geometry & MOs

Info

ID:	79890
PubChem CID:	49831059
Reduced:	SF3N3O5C15H20 (1)
Stoich.:	AB3C3D5E15F20 (1)
Weight, g/mol:	357.099457
ΔH_f, kcal/mol:	-335.23
Dipole, Da:	2.62
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-hydroxyphenyl)methylimino]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNNC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F

DOS

IR

Vibrations