Geometry & MOs

Info

ID:	140771
PubChem CID:	52757366
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	444.01547
ΔH_f, kcal/mol:	-37.44
Dipole, Da:	9.4
IP(EA), eV:	-8.49(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-bromo-4-methoxyphenyl)sulfonylamino]propyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)/C=C/C(=O)N(C)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations