Geometry & MOs

Info

ID:	142862
PubChem CID:	53105085
Reduced:	SN2O4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	432.208279
ΔH_f, kcal/mol:	-131.84
Dipole, Da:	3.8
IP(EA), eV:	-8.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(azepan-1-ylsulfonyl)-3,5,6-trimethyl-1-benzofuran-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C)S(=O)(=O)NC3=CC=C(C=C3)C(C)C)OC(=C2C)C(=O)N4CCCC4

DOS

IR

Vibrations