Geometry & MOs

Info

ID:	60785
PubChem CID:	26702159
Reduced:	BrNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	415.099063
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	5.23
IP(EA), eV:	-8.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CCCN2C(=O)C3=CC(=C(C=C3)OC)Br

DOS

IR

Vibrations