Geometry & MOs

Info

ID:

416782

PubChem CID:

135090345

Reduced:

O2N5C21H29 (1)

Stoich.:

A2B5C21D29 (1)

Weight, g/mol:

696.319286

ΔHf, kcal/mol:

-31.28

Dipole, Da:

6.58

IP(EA), eV:

 -8.27(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-13-(3-cyclopentylpropanoyl)-22-methoxy-5-(4-methylsulfonylbenzoyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C

DOS

IR

Vibrations