Geometry & MOs

Info

ID:	218373
PubChem CID:	85089243
Reduced:	ClSO4N6C18H21 (1)
Stoich.:	ABC4D6E18F21 (1)
Weight, g/mol:	454.136062
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	2.56
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]ethanesulfonyl chloride

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)N=C(S2)C(=O)NC(CNC(=O)C(=O)NC3=NC=C(C=C3)Cl)CO

DOS

IR

Vibrations