Geometry & MOs

Info

ID:	431793
PubChem CID:	135171899
Reduced:	SO2F3N5C23H26 (1)
Stoich.:	AB2C3D5E23F26 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-154.09
Dipole, Da:	8.76
IP(EA), eV:	-8.91(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-hydroxypropyl)-6-phenylmethoxy-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)CN(C1=C(C=C(C=C1)C2=C(N=CC=C2)C(=O)OC)NC3=NC(=NS3)C(F)(F)F)C(C)C

DOS

IR

Vibrations