Geometry & MOs

Info

ID:

219841

PubChem CID:

85164951

Reduced:

ClO2S2N4C32H33 (1)

Stoich.:

AB2C2D4E32F33 (1)

Weight, g/mol:

605.321334

ΔHf, kcal/mol:

-3.74

Dipole, Da:

4.94

IP(EA), eV:

 -8.38(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[7-(8-benzyl-4-oxo-2,3,5,6,7,8-hexahydro-1H-quinoline-2-carbonyl)-4-oxo-1,2,3,5,6,8-hexahydro-1,7-naphthyridine-2-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C(CC2=CSC3=CC=CC=C32)NC(=O)C4CCCN4C(=S)NCC5=CC=CC=C5Cl

DOS

IR

Vibrations