Geometry & MOs

Info

ID:

190894

PubChem CID:

78072150

Reduced:

S2N3O4H25C30 (1)

Stoich.:

A2B3C4D25E30 (1)

Weight, g/mol:

476.14784

ΔHf, kcal/mol:

-7.09

Dipole, Da:

10.52

IP(EA), eV:

 -9.02(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

25-methyl-8-(trifluoromethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC=CC=C3)C)C=C4C(=O)N(C(=S)S4)C(CC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations