Geometry & MOs

Info

ID:	122438
PubChem CID:	50807125
Reduced:	ClSN2O3C23H23 (1)
Stoich.:	ABC2D3E23F23 (1)
Weight, g/mol:	426.141342
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	8.51
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl(thiophen-2-ylmethyl)amino]-5-[(4-fluorobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CS1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations