Geometry & MOs

Info

ID:	61634
PubChem CID:	26711284
Reduced:	BrSN3O4C17H20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	-113.16
Dipole, Da:	1.99
IP(EA), eV:	-8.71(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-methyl-4-(4-piperidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)NC2=CN=C(C=C2)OC

DOS

IR

Vibrations