Geometry & MOs

Info

ID:	69124
PubChem CID:	46519283
Reduced:	Cl2O2S2N3H19C21 (1)
Stoich.:	A2B2C2D3E19F21 (1)
Weight, g/mol:	350.99063
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	6.1
IP(EA), eV:	-9.09(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3-bromobenzoyl)amino]-2-fluorobenzoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC=C(S2)CC3=C(C(=CC=C3)Cl)Cl)C(=O)C4=CC=CS4

DOS

IR

Vibrations