Geometry & MOs

Info

ID:	342762
PubChem CID:	127265925
Reduced:	F3N3O3C11H12 (1)
Stoich.:	A3B3C3D11E12 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-199.49
Dipole, Da:	6.67
IP(EA), eV:	-9.9(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC(C)C(F)(F)F

DOS

IR

Vibrations