Geometry & MOs

Info

ID:	417879
PubChem CID:	135102950
Reduced:	S2N3O4C12H19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	568.316189
ΔH_f, kcal/mol:	-140.43
Dipole, Da:	2.66
IP(EA), eV:	-9.67(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-2-benzoyl-14-(2,3-dihydro-1H-indene-2-carbonyl)-6-(1H-imidazol-5-ylmethyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations