Geometry & MOs

Info

ID:	192438
PubChem CID:	78268919
Reduced:	BrN3O5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-162.61
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758256
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=[N+](C1=O)C)N)C(=O)COC(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations