Geometry & MOs

Info

ID:	202742
PubChem CID:	79718908
Reduced:	FO2N3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	371.96987
ΔH_f, kcal/mol:	-21.69
Dipole, Da:	3.16
IP(EA), eV:	-10.19(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1F)C2=NOC(=N2)CO

DOS

IR

Vibrations