Geometry & MOs

Info

ID:

167395

PubChem CID:

74819718

Reduced:

SN5O5C30H37 (1)

Stoich.:

AB5C5D30E37 (1)

Weight, g/mol:

476.185983

ΔHf, kcal/mol:

-128.36

Dipole, Da:

6.77

IP(EA), eV:

 -8.93(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5H-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine-6,1'-cyclopropane]-3-yl]methanol

Drug info:

PubChemData

Smile

CCN(C)C1=NC2=C(O1)C=C(C=C2)C(=O)N(CC(C)C)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

DOS

IR

Vibrations