Geometry & MOs

Info

ID:	194137
PubChem CID:	78489808
Reduced:	BrClO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	1.27
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-6-oxo-2-phenacylsulfanyl-1,3-diazinan-5-yl)-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)Cl)COC(=O)C=CC3=CC=C(C=C3)Br)OCO1

DOS

IR

Vibrations