Geometry & MOs

Info

ID:	39170
PubChem CID:	8139860
Reduced:	SN3O3C23H32 (1)
Stoich.:	AB3C3D23E32 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-78.25
Dipole, Da:	6.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993516
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=CC=C3C[NH+](C)C

DOS

IR

Vibrations