Geometry & MOs

Info

ID:	39360
PubChem CID:	8140481
Reduced:	SN3O3C23H32 (1)
Stoich.:	AB3C3D23E32 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996810
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+](C)C

DOS

IR

Vibrations