Geometry & MOs

Info

ID:	130808
PubChem CID:	51110930
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	60.99
Dipole, Da:	3.14
IP(EA), eV:	-8.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations