Geometry & MOs

Info

ID:

80002

PubChem CID:

49832155

Reduced:

O13N14C54H88 (1)

Stoich.:

A13B14C54D88 (1)

Weight, g/mol:

380.130697

ΔHf, kcal/mol:

-498.96

Dipole, Da:

9.02

IP(EA), eV:

 -8.15(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations