Geometry & MOs

Info

ID:	395036
PubChem CID:	135024491
Reduced:	PN2O9C22H37 (1)
Stoich.:	AB2C9D22E37 (1)
Weight, g/mol:	340.093146
ΔH_f, kcal/mol:	-459.25
Dipole, Da:	3.83
IP(EA), eV:	-8.81(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(C(OC1OC(=O)C)COP(N(C(C)C)C(C)C)OCCC#N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations