Geometry & MOs

Info

ID:	172470
PubChem CID:	75512823
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-157.05
Dipole, Da:	5.21
IP(EA), eV:	-9.29(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-4-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1CC(C2=CC=C(C=C2)S(=O)(=O)C)O)C)C

DOS

IR

Vibrations