Geometry & MOs

Info

ID:	290896
PubChem CID:	111620575
Reduced:	IO2N4C24H41 (1)
Stoich.:	AB2C4D24E41 (1)
Weight, g/mol:	414.208947
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	5.02
IP(EA), eV:	-8.36(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(C)(C)N1CCOCC1)NCC2CCCOC2C3=CC=C(C=C3)C.I

DOS

IR

Vibrations