Geometry & MOs

Info

ID:	158032
PubChem CID:	56459422
Reduced:	FO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	422.02998
ΔH_f, kcal/mol:	-72.97
Dipole, Da:	8.3
IP(EA), eV:	-8.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[3-(3-bromophenoxy)propanoylamino]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)F

DOS

IR

Vibrations