Geometry & MOs

Info

ID:	395037
PubChem CID:	135024493
Reduced:	FO5N6C12H13 (1)
Stoich.:	AB5C6D12E13 (1)
Weight, g/mol:	481.126986
ΔH_f, kcal/mol:	-94.39
Dipole, Da:	6.37
IP(EA), eV:	-10.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-fluoro-4-[[5-fluoro-1-methyl-4-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]-1-methylimidazole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C(N1C)F)NC(=O)C2=NC(=CN2C)[N+](=O)[O-]

DOS

IR

Vibrations