Geometry & MOs

Info

ID:	185900
PubChem CID:	77366536
Reduced:	N2S3O6C21H28 (1)
Stoich.:	A2B3C6D21E28 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-105.45
Dipole, Da:	7.42
IP(EA), eV:	-8.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)piperazin-1-yl]ethyl 4-cyanobenzoate

Drug info:

PubChemData

Smile

CCC(C12CC3C=C(SC(=C(C1)CN3CC4=CC=C(C=C4)OC)S2(=O)=O)S(=O)(=O)N)OC

DOS

IR

Vibrations