Geometry & MOs

Info

ID:

227665

PubChem CID:

87562187

Reduced:

ClO3N4C35H41 (2)

Stoich.:

AB3C4D35E41 (2)

Weight, g/mol:

367.120192

ΔHf, kcal/mol:

-141.58

Dipole, Da:

5.96

IP(EA), eV:

 -8.44(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropan-2-yl]oxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](CN1CC[C@H](N[C@H](C1=O)CCN2CCOCC2)CNC(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=CC=C5.C1CN(C(=O)[C@@H](N[C@@H]1CNC(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CCN4CCOCC4)CC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations