Geometry & MOs

Info

ID:	194127
PubChem CID:	78487737
Reduced:	N3O4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	262.086152
ΔH_f, kcal/mol:	14.4
Dipole, Da:	7.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809521
Charge, e:	1

Chem-info

IUPAC name:

N,N,1,3,4-pentamethyl-2,6-dioxo-5H-pyrimidin-3-ium-5-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C(C(C(C([NH2+]2)C3=CC=C(C=C3)CC)[N+](=O)[O-])(C)C)[N+](=O)[O-]

DOS

IR

Vibrations