Geometry & MOs

Info

ID:	55737
PubChem CID:	17396227
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	430.94745
ΔH_f, kcal/mol:	-66.42
Dipole, Da:	8.72
IP(EA), eV:	-9.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methoxycarbonylphenyl)sulfonylamino]-4-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)NCC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations