Geometry & MOs

Info

ID:	290834
PubChem CID:	111146703
Reduced:	SO5N6C18H28 (1)
Stoich.:	AB5C6D18E28 (1)
Weight, g/mol:	402.206719
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	2.43
IP(EA), eV:	-9.12(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCNC(=NCCCN1CCCC1=O)NCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations