Geometry & MOs

Info

ID:	291018
PubChem CID:	111677791
Reduced:	FION6C21H32 (1)
Stoich.:	ABCD6E21F32 (1)
Weight, g/mol:	442.150861
ΔH_f, kcal/mol:	-35.9
Dipole, Da:	5.03
IP(EA), eV:	-8.96(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-ethyl-3-[2-(4-fluorophenoxy)propyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCC2=NN=C3N2CCCCC3.I

DOS

IR

Vibrations