Geometry & MOs

Info

ID:	39109
PubChem CID:	8139709
Reduced:	SN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-59.7
Dipole, Da:	5.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.020618
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations