Geometry & MOs

Info

ID:	173492
PubChem CID:	75644310
Reduced:	S2N3O3H11C13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	373.00958
ΔH_f, kcal/mol:	-7.43
Dipole, Da:	6.61
IP(EA), eV:	-9.7(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-bromophenyl)methylsulfanyl]-4-hydroxy-6-oxo-1,3-diazinan-5-yl]acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CSC2=C(C3=NC(=O)C=C(C3S2)O)C#N

DOS

IR

Vibrations