Geometry & MOs

Info

ID:	39102
PubChem CID:	8139700
Reduced:	ClSN2O5H17C18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	311.212338
ΔH_f, kcal/mol:	-166.33
Dipole, Da:	7.7
IP(EA), eV:	-8.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(4-propan-2-ylbenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)COC(=O)COC2=CC=CC=C2Cl)SCC(=O)N

DOS

IR

Vibrations