Geometry & MOs

Info

ID:	121348
PubChem CID:	50764439
Reduced:	BrSN3O6H20C23 (1)
Stoich.:	ABC3D6E20F23 (1)
Weight, g/mol:	461.14207
ΔH_f, kcal/mol:	-115.24
Dipole, Da:	13.21
IP(EA), eV:	-8.92(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=O)N3C(=N2)C=C(O3)C)NC(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations