Geometry & MOs

Info

ID:	39111
PubChem CID:	8139711
Reduced:	SN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	6.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.999968
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(phenylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

DOS

IR

Vibrations