Geometry & MOs

Info

ID:

170486

PubChem CID:

75240487

Reduced:

SCl3F3N5O5C23H23 (1)

Stoich.:

AB3C3D5E5F23G23 (1)

Weight, g/mol:

666.296597

ΔHf, kcal/mol:

-312.8

Dipole, Da:

2.61

IP(EA), eV:

 -9.72(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-cyclopropyl-6-fluoro-8-methoxy-7-[3-[methyl-[2-[2-oxo-3-(phenylhydrazinylidene)indol-1-yl]ethyl]amino]piperidin-1-yl]-4-oxoquinolin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)NCC(C1=C(C(=CC=C1)Cl)Cl)NC(=O)CN2C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)CC(C(F)(F)F)O

DOS

IR

Vibrations