Geometry & MOs

Info

ID:	176938
PubChem CID:	76114760
Reduced:	SN2O4C25H32 (1)
Stoich.:	AB2C4D25E32 (1)
Weight, g/mol:	518.12638
ΔH_f, kcal/mol:	-153.54
Dipole, Da:	2.11
IP(EA), eV:	-8.99(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromoethenyl)-1-[5-(hydroxymethyl)-3,4-bis(oxan-2-yloxy)oxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CC(C(C1)SCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations