Geometry & MOs

Info

ID:

422292

PubChem CID:

135117568

Reduced:

NSO2C10H12 (2)

Stoich.:

ABC2D10E12 (2)

Weight, g/mol:

632.357385

ΔHf, kcal/mol:

-130.65

Dipole, Da:

3.02

IP(EA), eV:

 -9.12(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-13-(cyclobutanecarbonyl)-5-(4-ethylbenzoyl)-23-methoxy-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)C#N)S(=O)(=O)N3CCC4(CC3)CC(CCO4)(C)O

DOS

IR

Vibrations