Geometry & MOs

Info

ID:	290848
PubChem CID:	111363249
Reduced:	ClOSN7C19H30 (1)
Stoich.:	ABCD7E19F30 (1)
Weight, g/mol:	508.01967
ΔH_f, kcal/mol:	36.37
Dipole, Da:	2.34
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(5-chlorothiophen-2-yl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CN=C(NCCCN2CCOCC2)N(C)CC3=CC=C(S3)Cl

DOS

IR

Vibrations