Geometry & MOs

Info

ID:

168260

PubChem CID:

74942159

Reduced:

FSN6O11C47H47 (1)

Stoich.:

ABC6D11E47F47 (1)

Weight, g/mol:

765.283235

ΔHf, kcal/mol:

-289.4

Dipole, Da:

5.32

IP(EA), eV:

 -9.03(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(benzenesulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-[3-methyl-2-(prop-2-enoylamino)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4=CC=CC=C4)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7

DOS

IR

Vibrations