Geometry & MOs

Info

ID:	167969
PubChem CID:	74907339
Reduced:	SN4O4C25H26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	345.123266
ΔH_f, kcal/mol:	-90.76
Dipole, Da:	4.3
IP(EA), eV:	-8.1(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1,3,4-trimethyl-2,6-dioxo-5H-pyrimidin-3-ium-5-yl)sulfonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)S(=O)(=O)C5=CC6=[N+](C(=O)C(=O)[N+](=C6C=C5)C)C

DOS

IR

Vibrations