Geometry & MOs

Info

ID:

446410

PubChem CID:

135274768

Reduced:

N8O60C97H124 (1)

Stoich.:

A8B60C97D124 (1)

Weight, g/mol:

180.089878

ΔHf, kcal/mol:

-2310.0

Dipole, Da:

6.91

IP(EA), eV:

 -8.65(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-acetyl-3-amino-N-prop-2-ynylbut-2-enamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)OC(=O)CCC(=O)OCCOCC(COCCOC(=O)CCC(=O)ON2C(=O)CCC2=O)OCC(COC(COCCOC(=O)CCC(=O)ON3C(=O)CCC3=O)COCCOC(=O)CCC(=O)ON4C(=O)CCC4=O)(COC(COCCOC(=O)CCC(=O)ON5C(=O)CCC5=O)COCCOC(=O)CCC(=O)ON6C(=O)CCC6=O)COC(COCCOC(=O)CCC(=O)ON7C(=O)CCC7=O)COCCOC(=O)CCC(=O)ON8C(=O)CCC8=O

DOS

IR

Vibrations