Geometry & MOs

Info

ID:	39120
PubChem CID:	8139722
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	351.103094
ΔH_f, kcal/mol:	-179.79
Dipole, Da:	3.38
IP(EA), eV:	-8.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C)OC(=O)[C@H](CCSC)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations