Geometry & MOs

Info

ID:

305354

PubChem CID:

124772052

Reduced:

OSN3C24H25 (1)

Stoich.:

ABC3D24E25 (1)

Weight, g/mol:

427.120192

ΔHf, kcal/mol:

23.94

Dipole, Da:

6.14

IP(EA), eV:

 -8.74(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[(1R,9S,13S)-9,13-dimethyl-4-nitro-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)C2=CC3=C(C=C2)N4C=C(N=C4S3)C5=CC=CC=C5

DOS

IR

Vibrations