Geometry & MOs

Info

ID:	191696
PubChem CID:	78179157
Reduced:	N2S2O4H20C27 (1)
Stoich.:	A2B2C4D20E27 (1)
Weight, g/mol:	471.230411
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	2.55
IP(EA), eV:	-8.8(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-4-(2,4-dimethyl-6-oxo-1,3-diazinan-5-yl)piperazine-1-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations