Geometry & MOs

Info

ID:	127374
PubChem CID:	51000679
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	588.240641
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	2.85
IP(EA), eV:	-8.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,6S,7Z,14S,18R)-18-(1,3-benzothiazol-2-yloxy)-14-(benzylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)C(=CO2)CCCCN3CCN(CC3)C4=NC=CC=N4)OC

DOS

IR

Vibrations