Geometry & MOs

Info

ID:

437894

PubChem CID:

135227233

Reduced:

NO4C19H31 (1)

Stoich.:

AB4C19D31 (1)

Weight, g/mol:

558.414506

ΔHf, kcal/mol:

-208.44

Dipole, Da:

6.99

IP(EA), eV:

 -9.72(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-7-[(2S)-2-[[2-cyclohexyl-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]acetyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCC/C=C/[C@@]12C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)O)C

DOS

IR

Vibrations