Geometry & MOs

Info

ID:	178003
PubChem CID:	76261828
Reduced:	SN3O6C21H23 (1)
Stoich.:	AB3C6D21E23 (1)
Weight, g/mol:	458.0965
ΔH_f, kcal/mol:	-169.08
Dipole, Da:	3.62
IP(EA), eV:	-9.01(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-3-bromo-5-fluoro-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

CC[N+]1=C2C=CC(=CC2=[N+](C(=O)C1=O)CC3=C(C=CC(=C3)C=O)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations