Geometry & MOs

Info

ID:

444503

PubChem CID:

135262679

Reduced:

SN4O5C28H40 (1)

Stoich.:

AB4C5D28E40 (1)

Weight, g/mol:

517.175931

ΔHf, kcal/mol:

-190.97

Dipole, Da:

5.47

IP(EA), eV:

 -9.03(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CCS(=O)(=O)C)[C@](CC2)(C4=CC(=NC(=N4)C)N5CCO[C@H](C5)CO)O

DOS

IR

Vibrations