Geometry & MOs

Info

ID:	277613
PubChem CID:	103829891
Reduced:	FNSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	294.137971
ΔH_f, kcal/mol:	-107.73
Dipole, Da:	4.22
IP(EA), eV:	-8.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-fluoro-2-hydroxybenzamide

Drug info:

PubChemData

Smile

C=CCSCCNC(=O)C1=C(C=C(C=C1)F)O

DOS

IR

Vibrations