Geometry & MOs

Info

ID:	290892
PubChem CID:	111573628
Reduced:	ISO2N3C17H36 (1)
Stoich.:	ABC2D3E17F36 (1)
Weight, g/mol:	401.213698
ΔH_f, kcal/mol:	-119.43
Dipole, Da:	6.84
IP(EA), eV:	-8.97(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCCCC1CCCC1)NCCS(=O)(=O)C(C)(C)C.I

DOS

IR

Vibrations