Geometry & MOs

Info

ID:	39106
PubChem CID:	8139706
Reduced:	SN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-90.61
Dipole, Da:	3.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995646
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations