Geometry & MOs

Info

ID:	65962
PubChem CID:	46484753
Reduced:	FN4O4C16H17 (1)
Stoich.:	AB4C4D16E17 (1)
Weight, g/mol:	447.090035
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	2.77
IP(EA), eV:	-9.55(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(2-fluoro-4-nitrophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CC=N2)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations