Geometry & MOs

Info

ID:	231049
PubChem CID:	87572520
Reduced:	SN3O4C32H41 (1)
Stoich.:	AB3C4D32E41 (1)
Weight, g/mol:	435.219178
ΔH_f, kcal/mol:	-61.31
Dipole, Da:	4.8
IP(EA), eV:	-7.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(dimethylamino)phenyl]azepan-1-yl]-2-[piperidin-2-yl(sulfonyl)methoxy]ethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2CCCCCN2C(=O)COC(=S(=O)=O)C3CCCCN3.C1=CC=C2C=CC=CC2=C1

DOS

IR

Vibrations