Geometry & MOs

Info

ID:	39364
PubChem CID:	8140492
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	410.130516
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	4.05
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations