Geometry & MOs

Info

ID:	340872
PubChem CID:	127263307
Reduced:	NO8H19C21 (1)
Stoich.:	AB8C19D21 (1)
Weight, g/mol:	383.095807
ΔH_f, kcal/mol:	-219.93
Dipole, Da:	2.91
IP(EA), eV:	-9.74(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CO[C@@H]1[C@H]2[C@H]([C@H]3[C@H](O1)COC(O3)C4=CC=CC=C4)OC(=O)C5=NC(=CC=C5)C(=O)O2

DOS

IR

Vibrations