Geometry & MOs

Info

ID:	422978
PubChem CID:	135118718
Reduced:	OSN4C13H24 (1)
Stoich.:	ABC4D13E24 (1)
Weight, g/mol:	517.290034
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	2.87
IP(EA), eV:	-8.79(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-13-(2-methoxyacetyl)-7,12-dimethyl-9-propan-2-yl-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCCSCC(=O)N(CCN(C)C)CC1=CN=CN1

DOS

IR

Vibrations