Geometry & MOs

Info

ID:	414797
PubChem CID:	135087760
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	516.313412
ΔH_f, kcal/mol:	-115.19
Dipole, Da:	5.47
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-6-ethyl-2-(3-methylbutanoyl)-14-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)CCS(=O)(=O)C3=CC=CC=C3)CO

DOS

IR

Vibrations