Geometry & MOs

Info

ID:	122475
PubChem CID:	50808490
Reduced:	SN3O5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	499.02128
ΔH_f, kcal/mol:	-207.79
Dipole, Da:	4.23
IP(EA), eV:	-9.31(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetamide

Drug info:

PubChemData

Smile

CCC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N(C)CC(=O)NC3CCCC3

DOS

IR

Vibrations