Geometry & MOs

Info

ID:	155677
PubChem CID:	56366855
Reduced:	ClSF2N3O3H14C18 (1)
Stoich.:	ABC2D3E3F14G18 (1)
Weight, g/mol:	475.94086
ΔH_f, kcal/mol:	-163.63
Dipole, Da:	3.39
IP(EA), eV:	-9.27(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N(NC1=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)SC(F)F

DOS

IR

Vibrations