Geometry & MOs

Info

ID:	182854
PubChem CID:	76946216
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	276.089226
ΔH_f, kcal/mol:	-25.96
Dipole, Da:	11.12
IP(EA), eV:	-9.12(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-N-(pyrrolidin-2-ylmethyl)-1,3-diazinane-5-sulfonamide

Drug info:

PubChemData

Smile

CC(COC)NC1=CC2=NC(=O)C(=O)N=C2C=C1

DOS

IR

Vibrations