Geometry & MOs

Info

ID:	154971
PubChem CID:	56314530
Reduced:	OSN3C25H33 (1)
Stoich.:	ABC3D25E33 (1)
Weight, g/mol:	408.187149
ΔH_f, kcal/mol:	-15.81
Dipole, Da:	6.42
IP(EA), eV:	-8.31(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,7-trimethyl-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3CCCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations