Geometry & MOs

Info

ID:	189992
PubChem CID:	77937099
Reduced:	SF2N3O5C19H23 (1)
Stoich.:	AB2C3D5E19F23 (1)
Weight, g/mol:	391.23185
ΔH_f, kcal/mol:	-248.15
Dipole, Da:	5.57
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(1-hydroxybutan-2-ylamino)-3-[3-hydroxy-5-(hydroxymethylidene)-4-(methylamino)oxan-2-yl]oxycyclohexane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)F)F)NS(=O)(=O)C3(CC3)CC(CO)O

DOS

IR

Vibrations