Geometry & MOs

Info

ID:

172967

PubChem CID:

75575876

Reduced:

Cl2N5O18C64H97 (1)

Stoich.:

A2B5C18D64E97 (1)

Weight, g/mol:

389.158685

ΔHf, kcal/mol:

-815.77

Dipole, Da:

10.23

IP(EA), eV:

 -7.93(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-6-nitrophenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(=O)N5CCOCC5)O)(C)OC)C)C)(N(C(=O)O2)CCCN(CC6=C(C=NC=C6Cl)Cl)C7=CC(=C(C=C7)OC)OC8CCCC8)O)C

DOS

IR

Vibrations