Geometry & MOs

Info

ID:	192075
PubChem CID:	78223464
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	385.04596
ΔH_f, kcal/mol:	82.52
Dipole, Da:	2.59
IP(EA), eV:	-8.67(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations