Geometry & MOs

Info

ID:

383340

PubChem CID:

134975011

Reduced:

ON2C8H11 (2)

Stoich.:

AB2C8D11 (2)

Weight, g/mol:

782.446594

ΔHf, kcal/mol:

-41.18

Dipole, Da:

6.0

IP(EA), eV:

 -8.87(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[[(E)-3-(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)prop-2-enoyl]amino]propyl]amino]butyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)CCCCCN)N

DOS

IR

Vibrations