Geometry & MOs

Info

ID:	131886
PubChem CID:	51274801
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	390.079804
ΔH_f, kcal/mol:	-68.31
Dipole, Da:	6.27
IP(EA), eV:	-9.02(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=N3)NC1=S

DOS

IR

Vibrations