Geometry & MOs

Info

ID:	194167
PubChem CID:	78493105
Reduced:	BrFNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	402.101621
ΔH_f, kcal/mol:	-64.4
Dipole, Da:	8.34
IP(EA), eV:	-8.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)F)NC=C2C=C(C=CC2=O)Br

DOS

IR

Vibrations