Geometry & MOs

Info

ID:	184290
PubChem CID:	77140177
Reduced:	SN2O5H26C31 (1)
Stoich.:	AB2C5D26E31 (1)
Weight, g/mol:	408.200885
ΔH_f, kcal/mol:	-8.26
Dipole, Da:	4.5
IP(EA), eV:	-9.58(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;2,6-dioxo-1,3-diazinane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CCC(C2=O)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations