Geometry & MOs

Info

ID:	179404
PubChem CID:	76477921
Reduced:	N4O5C26H32 (1)
Stoich.:	A4B5C26D32 (1)
Weight, g/mol:	402.097562
ΔH_f, kcal/mol:	-183.09
Dipole, Da:	4.72
IP(EA), eV:	-8.42(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-fluoro-3-[formyloxy(pyridin-3-yl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]-pyridin-3-ylmethyl] formate

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCC(O2)(C)C(=O)NC3C(N(C(=O)N(C3=O)C)C4=CC=CC=C4)NC)C(=C1O)C)C

DOS

IR

Vibrations