Geometry & MOs

Info

ID:	165868
PubChem CID:	74607009
Reduced:	ClFOSN3H15C18 (1)
Stoich.:	ABCDE3F15G18 (1)
Weight, g/mol:	428.09736
ΔH_f, kcal/mol:	10.14
Dipole, Da:	2.56
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NCC2=CC=CS2)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations