Geometry & MOs

Info

ID:

242693

PubChem CID:

98457984

Reduced:

SO3N4C21H24 (1)

Stoich.:

AB3C4D21E24 (1)

Weight, g/mol:

515.218699

ΔHf, kcal/mol:

-59.01

Dipole, Da:

6.06

IP(EA), eV:

 -8.52(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,5R,6R,7S)-6-N-(4-chlorophenyl)-2-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2CCC(CC2)CNC(=O)C3=CC4=C(N3)N=CS4

DOS

IR

Vibrations