Geometry & MOs

Info

ID:	147312
PubChem CID:	53786968
Reduced:	PSO4C21H33 (1)
Stoich.:	ABC4D21E33 (1)
Weight, g/mol:	384.209616
ΔH_f, kcal/mol:	-197.81
Dipole, Da:	6.45
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N,N-dimethyl-N'-[4-[2-(3-phenyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)hydrazinyl]phenyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1SCC(C(CC2CCCCC2)C(=O)OCC)P=O

DOS

IR

Vibrations