Geometry & MOs

Info

ID:	171593
PubChem CID:	75399979
Reduced:	BrSN3O4C13H14 (1)
Stoich.:	ABC3D4E13F14 (1)
Weight, g/mol:	363.100125
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	3.57
IP(EA), eV:	-9.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)Br

DOS

IR

Vibrations