Geometry & MOs

Info

ID:	186615
PubChem CID:	77455800
Reduced:	O4C27H48 (1)
Stoich.:	A4B27C48 (1)
Weight, g/mol:	378.097562
ΔH_f, kcal/mol:	-281.11
Dipole, Da:	3.93
IP(EA), eV:	-10.02(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)(O)O)C)O)O)C

DOS

IR

Vibrations