Geometry & MOs

Info

ID:

80303

PubChem CID:

49833905

Reduced:

SO4N7C18H35 (2)

Stoich.:

AB4C7D18E35 (2)

Weight, g/mol:

444.092597

ΔHf, kcal/mol:

-379.06

Dipole, Da:

5.38

IP(EA), eV:

 -9.35(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]pyrrolidin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations