Geometry & MOs

Info

ID:	155058
PubChem CID:	56320475
Reduced:	BrFO2N4C22H22 (1)
Stoich.:	ABC2D4E22F22 (1)
Weight, g/mol:	448.037496
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	6.67
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dichloroanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCCC(C2)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations