Geometry & MOs

Info

ID:	39375
PubChem CID:	8140515
Reduced:	SN3O3C22H32 (1)
Stoich.:	AB3C3D22E32 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-78.7
Dipole, Da:	2.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.986733
Charge, e:	0

Chem-info

IUPAC name:

5-(diethylsulfamoyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations