Geometry & MOs

Info

ID:

221733

PubChem CID:

85286088

Reduced:

SN3O6C34H39 (1)

Stoich.:

AB3C6D34E39 (1)

Weight, g/mol:

615.210664

ΔHf, kcal/mol:

-175.75

Dipole, Da:

6.8

IP(EA), eV:

 -9.16(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[2-[5-[[2-(butylsulfonylamino)-3-methoxy-3-oxopropyl]carbamoyl]thieno[2,3-b]thiophen-2-yl]ethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1CCS(=O)(=O)C2C1C(OC2COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6CCC(=O)NC6=O

DOS

IR

Vibrations