Geometry & MOs

Info

ID:	337446
PubChem CID:	127257131
Reduced:	BrSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	377.04267
ΔH_f, kcal/mol:	14.22
Dipole, Da:	5.26
IP(EA), eV:	-8.91(-2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2Br)CC(=S)C3=CC=CC=C3

DOS

IR

Vibrations