Geometry & MOs

Info

ID:	185087
PubChem CID:	77253137
Reduced:	BrSO3N4C25H33 (1)
Stoich.:	ABC3D4E25F33 (1)
Weight, g/mol:	402.070652
ΔH_f, kcal/mol:	-45.25
Dipole, Da:	4.05
IP(EA), eV:	-8.81(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-amino-5,5-difluoro-6-methyl-4H-1,3-oxazin-6-yl)-4-fluorophenyl]-2-(chloromethyl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCS(=O)(=O)NC(CCC1=CC=CC=C1)C2=NC(=NO2)CC3=CC=CC=C3Br

DOS

IR

Vibrations