Geometry & MOs

Info

ID:	154974
PubChem CID:	56314533
Reduced:	FOSN4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	458.06636
ΔH_f, kcal/mol:	2.77
Dipole, Da:	5.21
IP(EA), eV:	-8.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=CN(N=C3)C4=CC=CC=C4F

DOS

IR

Vibrations