Geometry & MOs

Info

ID:

219991

PubChem CID:

85165120

Reduced:

BrN2O4H10C11 (2)

Stoich.:

AB2C4D10E11 (2)

Weight, g/mol:

628.239636

ΔHf, kcal/mol:

-65.83

Dipole, Da:

3.98

IP(EA), eV:

 -10.34(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-[2-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]prop-1-enyl]amino] carbonate

Drug info:

PubChemData

Smile

C1C(=NOC12C=C(C(=O)C3C2O3)Br)C(=O)NCCCCNC(=O)C4=NOC5(C4)C=C(C(=O)C6C5O6)Br

DOS

IR

Vibrations