Geometry & MOs

Info

ID:	28017
PubChem CID:	824881
Reduced:	NSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	233.080041
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	3.03
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-4-nitroimidazole

Drug info:

PubChemData

Smile

C1C(=O)N([C@H](S1(=O)=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations