Geometry & MOs

Info

ID:	233133
PubChem CID:	87692501
Reduced:	AsSO5C6H15 (1)
Stoich.:	ABC5D6E15 (1)
Weight, g/mol:	610.203919
ΔH_f, kcal/mol:	-209.07
Dipole, Da:	3.55
IP(EA), eV:	-9.59(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[1-[(E)-3-ethoxy-3-oxo-1-[5-(2,2,2-trifluoroethoxy)pyridin-3-yl]prop-1-enyl]indol-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid

Drug info:

PubChemData

Smile

C(C[As](CCO)CCS(=O)(=O)O)O

DOS

IR

Vibrations