Geometry & MOs

Info

ID:

218504

PubChem CID:

85089543

Reduced:

SCl2N5O5C17H17 (1)

Stoich.:

AB2C5D5E17F17 (1)

Weight, g/mol:

482.202857

ΔHf, kcal/mol:

-103.04

Dipole, Da:

5.93

IP(EA), eV:

 -9.05(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(1-benzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-3,4,4a,5,6,7,8,8a-octahydrobenzo[d]oxazin-6-yl)-2-(trifluoromethyl)pentanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)C(C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)(Cl)Cl

DOS

IR

Vibrations