Geometry & MOs

Info

ID:	290931
PubChem CID:	111640879
Reduced:	IN3O3C19H32 (1)
Stoich.:	AB3C3D19E32 (1)
Weight, g/mol:	432.219512
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	1.7
IP(EA), eV:	-8.69(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[3-(4-methoxyphenyl)butyl]-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(C)C(=O)OC)NCCC(C)C1=CC=C(C=C1)OC.I

DOS

IR

Vibrations