Geometry & MOs

Info

ID:	377292
PubChem CID:	134223340
Reduced:	N2O2S2C23H46 (1)
Stoich.:	A2B2C2D23E46 (1)
Weight, g/mol:	496.36334
ΔH_f, kcal/mol:	-179.72
Dipole, Da:	7.84
IP(EA), eV:	-8.62(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-[2-[(6-ethyl-6-methyl-2-bicyclo[2.2.0]hexanyl)sulfanyl]ethyl]-8-N'-[2-(3-methylpentan-3-ylsulfanyl)ethyl]octanediimidamide

Drug info:

PubChemData

Smile

CCC(CC)SCCC(=O)NCCCCCCNC(=O)CCSC(C)(CC)CC

DOS

IR

Vibrations