Geometry & MOs

Info

ID:

168259

PubChem CID:

74941469

Reduced:

N3O9C19H25 (1)

Stoich.:

A3B9C19D25 (1)

Weight, g/mol:

922.300756

ΔHf, kcal/mol:

-349.38

Dipole, Da:

5.62

IP(EA), eV:

 -9.02(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[[1-(benzenesulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3-(4-fluoro-3-nitrophenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2C(C(C(O2)N3CCC(=O)NC3=O)O)O

DOS

IR

Vibrations