Geometry & MOs

Info

ID:

81843

PubChem CID:

49855244

Reduced:

SF2N6O9C47H64 (1)

Stoich.:

AB2C6D9E47F64 (1)

Weight, g/mol:

435.104205

ΔHf, kcal/mol:

-430.13

Dipole, Da:

10.57

IP(EA), eV:

 -8.75(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-6-nitro-2-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)N2CCOC3(C2)CCN(CC3)CCC4=CC=C(C=C4)CCOCCC(=O)N(CCNCCC5=C6C(=C(C=C5)O)NC(=O)CO6)C7CCCCCC7.C(C(=O)O)(F)F

DOS

IR

Vibrations