Geometry & MOs

Info

ID:	130839
PubChem CID:	51116102
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	319.087829
ΔH_f, kcal/mol:	-75.2
Dipole, Da:	6.76
IP(EA), eV:	-9.26(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NNC(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C)C

DOS

IR

Vibrations