Geometry & MOs

Info

ID:

309268

PubChem CID:

126541432

Reduced:

ClF3N4O4C28H32 (1)

Stoich.:

AB3C4D4E28F32 (1)

Weight, g/mol:

830.348671

ΔHf, kcal/mol:

-230.24

Dipole, Da:

4.23

IP(EA), eV:

 -9.14(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl N-[3-[2,2-bis[[2-methyl-3-(prop-2-enoxycarbonylamino)phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]carbamate

Drug info:

PubChemData

Smile

C=C(CF)OC(=N)C1=CC(=C(C=C1)CN(C2=CC(=C(C=C2)F)Cl)C(C3CCN(CC3)C4CN(C4)C(=O)CO)O)F

DOS

IR

Vibrations