Geometry & MOs

Info

ID:

219581

PubChem CID:

85149310

Reduced:

N5O13C22H43 (1)

Stoich.:

A5B13C22D43 (1)

Weight, g/mol:

585.405419

ΔHf, kcal/mol:

-594.05

Dipole, Da:

6.46

IP(EA), eV:

 -9.52(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3,5-dimethyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)NC(=O)C(CCN)O)O)N

DOS

IR

Vibrations