Geometry & MOs

Info

ID:	423192
PubChem CID:	135119072
Reduced:	N2S2O3C16H24 (1)
Stoich.:	A2B2C3D16E24 (1)
Weight, g/mol:	518.264154
ΔH_f, kcal/mol:	-120.96
Dipole, Da:	3.9
IP(EA), eV:	-8.7(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S,9R,12R)-3-benzyl-9-(1H-indol-3-ylmethyl)-6,12-dimethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(CC1)C(=O)CCSCC2=CC=CC=C2

DOS

IR

Vibrations