Geometry & MOs

Info

ID:

127457

PubChem CID:

51002792

Reduced:

O9N10C48H64 (1)

Stoich.:

A9B10C48D64 (1)

Weight, g/mol:

257.099811

ΔHf, kcal/mol:

-295.11

Dipole, Da:

10.1

IP(EA), eV:

 -8.27(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3-fluoropropoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCC[C@H]2C(=O)NCCCCCCNC(=O)CC[C@@H](C(=O)N)NC(=O)C)NC(=O)[C@H]3CN([C@@H]4CC5=CNC6=CC=CC(=C56)C4=C3)C

DOS

IR

Vibrations