Geometry & MOs

Info

ID:

427356

PubChem CID:

135157573

Reduced:

SN2O7C22H38 (1)

Stoich.:

AB2C7D22E38 (1)

Weight, g/mol:

315.148396

ΔHf, kcal/mol:

-365.66

Dipole, Da:

3.68

IP(EA), eV:

 -9.26(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8,15,16-trimethyl-6,8,15,17-tetrazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaen-7-amine

Drug info:

PubChemData

Smile

CC(C1C(C([C@](C(O1)(C)C)(C)O)(C)O)(C)O)OC(=O)CCCCC2[C@@H]3[C@H](CS2)NC(=O)N3

DOS

IR

Vibrations