Geometry & MOs

Info

ID:	305448
PubChem CID:	124807281
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	291.067762
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	5.57
IP(EA), eV:	-8.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,9S,10S,11S)-14-methyl-4-oxo-4lambda4-thia-12,14,16-triazaheptacyclo[7.7.0.02,6.02,7.06,11.08,10.012,16]hexadecane-13,15-dione

Drug info:

PubChemData

Smile

CCCN(C)C(=O)C1CCN(CC1)CC2=NC3=CC=CC=C3N2C

DOS

IR

Vibrations