Geometry & MOs

Info

ID:	240791
PubChem CID:	93617576
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-74.46
Dipole, Da:	2.76
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)CNC(=O)C3=CC=C(O3)Cl

DOS

IR

Vibrations