Geometry & MOs

Info

ID:	56915
PubChem CID:	22394871
Reduced:	S2N4O6C17H20 (1)
Stoich.:	A2B4C6D17E20 (1)
Weight, g/mol:	317.143864
ΔH_f, kcal/mol:	-186.21
Dipole, Da:	10.55
IP(EA), eV:	-8.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-difluorophenyl)methyl N-(2,3-dihydroxyheptyl)carbamate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)O)C(C(CC#N)O)O

DOS

IR

Vibrations