Geometry & MOs

Info

ID:

82057

PubChem CID:

49855536

Reduced:

NO2C8H11 (2)

Stoich.:

AB2C8D11 (2)

Weight, g/mol:

448.184566

ΔHf, kcal/mol:

-170.84

Dipole, Da:

2.24

IP(EA), eV:

 -9.82(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (1R,2S,6R,7S,8R,11S)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,5-dioxo-4-azatetracyclo[5.4.1.02,6.08,11]dodec-9-ene-9,10-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)C=C3

DOS

IR

Vibrations