Geometry & MOs

Info

ID:	376722
PubChem CID:	134222747
Reduced:	OC20H26 (1)
Stoich.:	AB20C26 (1)
Weight, g/mol:	548.307482
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	2.35
IP(EA), eV:	-8.44(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-amino-3-[2-(3-methylpentan-3-ylsulfanyl)ethylimino]propyl]disulfanyl]-N'-[2-[2-(3-methylpentan-3-yl)cyclobutyl]sulfanylethyl]propanimidamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C)C)CC2=C(C(=C(C=C2C)O)C)C

DOS

IR

Vibrations