Geometry & MOs

Info

ID:	415938
PubChem CID:	135088940
Reduced:	SO2N6C17H24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	616.300933
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	6.63
IP(EA), eV:	-8.47(-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-13-[(2S)-oxolane-2-carbonyl]-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations