Geometry & MOs

Info

ID:

190283

PubChem CID:

77980533

Reduced:

ON5H23C25 (1)

Stoich.:

AB5C23D25 (1)

Weight, g/mol:

710.350192

ΔHf, kcal/mol:

71.39

Dipole, Da:

3.78

IP(EA), eV:

 -8.55(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(2-cyclohexa-2,4-dien-1-yl-4-methylpiperazine-1-carbonyl)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

Drug info:

PubChemData

Smile

CCC(CC1=NC(=C2N1C=CN=C2N)C3=CC4=C(C=C3)C=CC(=N4)C5=CC=CC=C5)O

DOS

IR

Vibrations