Geometry & MOs

Info

ID:

188413

PubChem CID:

77713437

Reduced:

O2C14H17 (4)

Stoich.:

A2B14C17 (4)

Weight, g/mol:

560.062476

ΔHf, kcal/mol:

-359.62

Dipole, Da:

4.18

IP(EA), eV:

 -9.1(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-2-[[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]amino]acetamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)OC5CCC6C5(CCC7C6CCC8=C7C=CC(=C8)OC(=O)OC9=CC1=C(C=C9)C2CCC3(C(C2CC1)CCC3O)C)C

DOS

IR

Vibrations