Geometry & MOs

Info

ID:	38362
PubChem CID:	8032646
Reduced:	BrSN6H11C15 (1)
Stoich.:	ABC6D11E15 (1)
Weight, g/mol:	323.067284
ΔH_f, kcal/mol:	162.33
Dipole, Da:	6.63
IP(EA), eV:	-9.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-1-(4-chlorophenyl)-5-(3-hydroxypropyliminomethyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)SCC3=NN=NN3C4=CC=C(C=C4)Br

DOS

IR

Vibrations