Geometry & MOs

Info

ID:	422394
PubChem CID:	135117755
Reduced:	SN2O2C17H26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	602.267525
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	2.43
IP(EA), eV:	-8.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-(1H-indol-3-ylmethyl)-11-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCC3=CSC=C3)CO

DOS

IR

Vibrations