Geometry & MOs

Info

ID:	128985
PubChem CID:	51065232
Reduced:	BrSN3O5C22H22 (1)
Stoich.:	ABC3D5E22F22 (1)
Weight, g/mol:	374.163043
ΔH_f, kcal/mol:	-107.65
Dipole, Da:	8.85
IP(EA), eV:	-8.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-3-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC3=CC=C(C=C3)Br)C4CCS(=O)(=O)C4

DOS

IR

Vibrations