Geometry & MOs

Info

ID:	156760
PubChem CID:	56374264
Reduced:	BrFSO2N4C13H14 (1)
Stoich.:	ABCD2E4F13G14 (1)
Weight, g/mol:	424.085971
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	2.62
IP(EA), eV:	-9.63(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-[benzyl(methyl)amino]-3-oxopropyl]sulfamoyl]-3-chlorobenzoate

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=NC=N2)S(=O)(=O)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations