Geometry & MOs

Info

ID:	327525
PubChem CID:	126690232
Reduced:	FN4C28H41 (1)
Stoich.:	AB4C28D41 (1)
Weight, g/mol:	342.19032
ΔH_f, kcal/mol:	15.54
Dipole, Da:	5.79
IP(EA), eV:	-8.63(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-hydroxy-3-(5-methyl-2-nitroimidazol-1-yl)propyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCCC/C=C(/NC(=NC/C=C(\C)/C1=CC=C(C=C1)F)/C=C\C(=C)C2CCNCC2)\N(C)C

DOS

IR

Vibrations