Geometry & MOs

Info

ID:	290484
PubChem CID:	104629969
Reduced:	FNO4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-217.8
Dipole, Da:	3.0
IP(EA), eV:	-9.34(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)C1=C(C=CC(=C1)F)O

DOS

IR

Vibrations