Geometry & MOs

Info

ID:	140912
PubChem CID:	52783021
Reduced:	ClN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	350.134994
ΔH_f, kcal/mol:	-91.69
Dipole, Da:	4.07
IP(EA), eV:	-8.57(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(3,4-difluorophenyl)methyl-[2-(methanesulfonamido)acetyl]amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations