Geometry & MOs

Info

ID:

177171

PubChem CID:

76143230

Reduced:

SN6O9C40H48 (1)

Stoich.:

AB6C9D40E48 (1)

Weight, g/mol:

521.133374

ΔHf, kcal/mol:

-179.47

Dipole, Da:

6.04

IP(EA), eV:

 -8.59(-2.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=C(C3=CC(=NC(=C3N2)C(=O)OC(C)(C)C)C(C)(C)C(=O)N4CC5CCC4CC5)C(C)CNS(=O)(=O)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])C

DOS

IR

Vibrations